--- _id: '14000' abstract: - lang: eng text: This chapter presents an overview of the state of the art in attosecond time-resolved spectroscopy. The theoretical foundations of strong-field light–matter interaction and attosecond pulse generation are described. The enabling laser technologies are reviewed from chirped-pulse amplification and carrier-envelope-phase stabilization to the generation and characterization of attosecond pulses. The applications of attosecond pulses and pulse trains in electron- or ion-imaging experiments are presented, followed by attosecond electron spectroscopy in larger molecules. After this, high-harmonic spectroscopy and its applications to probing charge migration on attosecond time scales is reviewed. The rapidly evolving field of molecular photoionization delays is discussed. Finally, the applications of attosecond transient absorption to probing molecular dynamics are presented. article_processing_charge: No author: - first_name: Denitsa Rangelova full_name: Baykusheva, Denitsa Rangelova id: 71b4d059-2a03-11ee-914d-dfa3beed6530 last_name: Baykusheva - first_name: Hans Jakob full_name: Wörner, Hans Jakob last_name: Wörner citation: ama: 'Baykusheva DR, Wörner HJ. Attosecond Molecular Dynamics and Spectroscopy. In: Marquardt R, Quack M, eds. Molecular Spectroscopy and Quantum Dynamics. 1st ed. Elsevier; 2020:113-161. doi:10.1016/b978-0-12-817234-6.00009-x' apa: Baykusheva, D. R., & Wörner, H. J. (2020). Attosecond Molecular Dynamics and Spectroscopy. In R. Marquardt & M. Quack (Eds.), Molecular Spectroscopy and Quantum Dynamics (1st ed., pp. 113–161). Elsevier. https://doi.org/10.1016/b978-0-12-817234-6.00009-x chicago: Baykusheva, Denitsa Rangelova, and Hans Jakob Wörner. “Attosecond Molecular Dynamics and Spectroscopy.” In Molecular Spectroscopy and Quantum Dynamics, edited by Roberto Marquardt and Martin Quack, 1st ed., 113–61. Elsevier, 2020. https://doi.org/10.1016/b978-0-12-817234-6.00009-x. ieee: D. R. Baykusheva and H. J. Wörner, “Attosecond Molecular Dynamics and Spectroscopy,” in Molecular Spectroscopy and Quantum Dynamics, 1st ed., R. Marquardt and M. Quack, Eds. Elsevier, 2020, pp. 113–161. ista: 'Baykusheva DR, Wörner HJ. 2020.Attosecond Molecular Dynamics and Spectroscopy. In: Molecular Spectroscopy and Quantum Dynamics. , 113–161.' mla: Baykusheva, Denitsa Rangelova, and Hans Jakob Wörner. “Attosecond Molecular Dynamics and Spectroscopy.” Molecular Spectroscopy and Quantum Dynamics, edited by Roberto Marquardt and Martin Quack, 1st ed., Elsevier, 2020, pp. 113–61, doi:10.1016/b978-0-12-817234-6.00009-x. short: D.R. Baykusheva, H.J. Wörner, in:, R. Marquardt, M. Quack (Eds.), Molecular Spectroscopy and Quantum Dynamics, 1st ed., Elsevier, 2020, pp. 113–161. date_created: 2023-08-09T13:10:23Z date_published: 2020-09-25T00:00:00Z date_updated: 2024-10-14T12:26:39Z day: '25' doi: 10.1016/b978-0-12-817234-6.00009-x edition: '1' editor: - first_name: Roberto full_name: Marquardt, Roberto last_name: Marquardt - first_name: Martin full_name: Quack, Martin last_name: Quack extern: '1' language: - iso: eng month: '09' oa_version: None page: 113-161 publication: Molecular Spectroscopy and Quantum Dynamics publication_identifier: eisbn: - '0128172355' isbn: - '9780128172353' publication_status: published publisher: Elsevier quality_controlled: '1' scopus_import: '1' status: public title: Attosecond Molecular Dynamics and Spectroscopy type: book_chapter user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2020' ... --- _id: '14028' abstract: - lang: eng text: 'The present review addresses the technical advances and the theoretical developments to realize and rationalize attosecond-science experiments that reveal a new dynamical time scale (10−15-10−18 s), with a particular emphasis on molecular systems and the implications of attosecond processes for chemical dynamics. After a brief outline of the theoretical framework for treating non-perturbative phenomena in Section 2, we introduce the physical mechanisms underlying high-harmonic generation and attosecond technology. The relevant technological developments and experimental schemes are covered in Section 3. Throughout the remainder of the chapter, we report on selected applications in molecular attosecond physics, thereby addressing specific phenomena mediated by purely electronic dynamics: charge localization in molecular hydrogen, charge migration in biorelevant molecules, high-harmonic spectroscopy, and delays in molecular photoionization.' article_processing_charge: No arxiv: 1 author: - first_name: Denitsa Rangelova full_name: Baykusheva, Denitsa Rangelova id: 71b4d059-2a03-11ee-914d-dfa3beed6530 last_name: Baykusheva - first_name: Hans Jakob full_name: Wörner, Hans Jakob last_name: Wörner citation: ama: Baykusheva DR, Wörner HJ. Attosecond molecular spectroscopy and dynamics. doi:10.48550/arXiv.2002.02111 apa: Baykusheva, D. R., & Wörner, H. J. (n.d.). Attosecond molecular spectroscopy and dynamics. https://doi.org/10.48550/arXiv.2002.02111 chicago: Baykusheva, Denitsa Rangelova, and Hans Jakob Wörner. “Attosecond Molecular Spectroscopy and Dynamics,” n.d. https://doi.org/10.48550/arXiv.2002.02111. ieee: D. R. Baykusheva and H. J. Wörner, “Attosecond molecular spectroscopy and dynamics.” . ista: Baykusheva DR, Wörner HJ. Attosecond molecular spectroscopy and dynamics. 10.48550/arXiv.2002.02111. mla: Baykusheva, Denitsa Rangelova, and Hans Jakob Wörner. Attosecond Molecular Spectroscopy and Dynamics. doi:10.48550/arXiv.2002.02111. short: D.R. Baykusheva, H.J. Wörner, (n.d.). date_created: 2023-08-10T06:47:45Z date_published: 2020-02-01T00:00:00Z date_updated: 2023-08-22T09:17:34Z day: '01' doi: 10.48550/arXiv.2002.02111 extern: '1' external_id: arxiv: - '2002.02111' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2002.02111 month: '02' oa: 1 oa_version: Preprint page: '2002.02111' publication_status: submitted status: public title: Attosecond molecular spectroscopy and dynamics type: preprint user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2020' ... --- _id: '14095' abstract: - lang: eng text: 'The Habitable Exoplanet Observatory, or HabEx, has been designed to be the Great Observatory of the 2030s. For the first time in human history, technologies have matured sufficiently to enable an affordable space-based telescope mission capable of discovering and characterizing Earthlike planets orbiting nearby bright sunlike stars in order to search for signs of habitability and biosignatures. Such a mission can also be equipped with instrumentation that will enable broad and exciting general astrophysics and planetary science not possible from current or planned facilities. HabEx is a space telescope with unique imaging and multi-object spectroscopic capabilities at wavelengths ranging from ultraviolet (UV) to near-IR. These capabilities allow for a broad suite of compelling science that cuts across the entire NASA astrophysics portfolio. HabEx has three primary science goals: (1) Seek out nearby worlds and explore their habitability; (2) Map out nearby planetary systems and understand the diversity of the worlds they contain; (3) Enable new explorations of astrophysical systems from our own solar system to external galaxies by extending our reach in the UV through near-IR. This Great Observatory science will be selected through a competed GO program, and will account for about 50% of the HabEx primary mission. The preferred HabEx architecture is a 4m, monolithic, off-axis telescope that is diffraction-limited at 0.4 microns and is in an L2 orbit. HabEx employs two starlight suppression systems: a coronagraph and a starshade, each with their own dedicated instrument.' article_number: '2001.06683' article_processing_charge: No arxiv: 1 author: - first_name: B. Scott full_name: Gaudi, B. Scott last_name: Gaudi - first_name: Sara full_name: Seager, Sara last_name: Seager - first_name: Bertrand full_name: Mennesson, Bertrand last_name: Mennesson - first_name: Alina full_name: Kiessling, Alina last_name: Kiessling - first_name: Keith full_name: Warfield, Keith last_name: Warfield - first_name: Kerri full_name: Cahoy, Kerri last_name: Cahoy - first_name: John T. full_name: Clarke, John T. last_name: Clarke - first_name: Shawn Domagal-Goldman full_name: Shawn Domagal-Goldman, Shawn Domagal-Goldman last_name: Shawn Domagal-Goldman - first_name: Lee full_name: Feinberg, Lee last_name: Feinberg - first_name: Olivier full_name: Guyon, Olivier last_name: Guyon - first_name: Jeremy full_name: Kasdin, Jeremy last_name: Kasdin - first_name: Dimitri full_name: Mawet, Dimitri last_name: Mawet - first_name: Peter full_name: Plavchan, Peter last_name: Plavchan - first_name: Tyler full_name: Robinson, Tyler last_name: Robinson - first_name: Leslie full_name: Rogers, Leslie last_name: Rogers - first_name: Paul full_name: Scowen, Paul last_name: Scowen - first_name: Rachel full_name: Somerville, Rachel last_name: Somerville - first_name: Karl full_name: Stapelfeldt, Karl last_name: Stapelfeldt - first_name: Christopher full_name: Stark, Christopher last_name: Stark - first_name: Daniel full_name: Stern, Daniel last_name: Stern - first_name: Margaret full_name: Turnbull, Margaret last_name: Turnbull - first_name: Rashied full_name: Amini, Rashied last_name: Amini - first_name: Gary full_name: Kuan, Gary last_name: Kuan - first_name: Stefan full_name: Martin, Stefan last_name: Martin - first_name: Rhonda full_name: Morgan, Rhonda last_name: Morgan - first_name: David full_name: Redding, David last_name: Redding - first_name: H. Philip full_name: Stahl, H. Philip last_name: Stahl - first_name: Ryan full_name: Webb, Ryan last_name: Webb - first_name: Oscar Alvarez-Salazar full_name: Oscar Alvarez-Salazar, Oscar Alvarez-Salazar last_name: Oscar Alvarez-Salazar - first_name: William L. full_name: Arnold, William L. last_name: Arnold - first_name: Manan full_name: Arya, Manan last_name: Arya - first_name: Bala full_name: Balasubramanian, Bala last_name: Balasubramanian - first_name: Mike full_name: Baysinger, Mike last_name: Baysinger - first_name: Ray full_name: Bell, Ray last_name: Bell - first_name: Chris full_name: Below, Chris last_name: Below - first_name: Jonathan full_name: Benson, Jonathan last_name: Benson - first_name: Lindsey full_name: Blais, Lindsey last_name: Blais - first_name: Jeff full_name: Booth, Jeff last_name: Booth - first_name: Robert full_name: Bourgeois, Robert last_name: Bourgeois - first_name: Case full_name: Bradford, Case last_name: Bradford - first_name: Alden full_name: Brewer, Alden last_name: Brewer - first_name: Thomas full_name: Brooks, Thomas last_name: Brooks - first_name: Eric full_name: Cady, Eric last_name: Cady - first_name: Mary full_name: Caldwell, Mary last_name: Caldwell - first_name: Rob full_name: Calvet, Rob last_name: Calvet - first_name: Steven full_name: Carr, Steven last_name: Carr - first_name: Derek full_name: Chan, Derek last_name: Chan - first_name: Velibor full_name: Cormarkovic, Velibor last_name: Cormarkovic - first_name: Keith full_name: Coste, Keith last_name: Coste - first_name: Charlie full_name: Cox, Charlie last_name: Cox - first_name: Rolf full_name: Danner, Rolf last_name: Danner - first_name: Jacqueline full_name: Davis, Jacqueline last_name: Davis - first_name: Larry full_name: Dewell, Larry last_name: Dewell - first_name: Lisa full_name: Dorsett, Lisa last_name: Dorsett - first_name: Daniel full_name: Dunn, Daniel last_name: Dunn - first_name: Matthew full_name: East, Matthew last_name: East - first_name: Michael full_name: Effinger, Michael last_name: Effinger - first_name: Ron full_name: Eng, Ron last_name: Eng - first_name: Greg full_name: Freebury, Greg last_name: Freebury - first_name: Jay full_name: Garcia, Jay last_name: Garcia - first_name: Jonathan full_name: Gaskin, Jonathan last_name: Gaskin - first_name: Suzan full_name: Greene, Suzan last_name: Greene - first_name: John full_name: Hennessy, John last_name: Hennessy - first_name: Evan full_name: Hilgemann, Evan last_name: Hilgemann - first_name: Brad full_name: Hood, Brad last_name: Hood - first_name: Wolfgang full_name: Holota, Wolfgang last_name: Holota - first_name: Scott full_name: Howe, Scott last_name: Howe - first_name: Pei full_name: Huang, Pei last_name: Huang - first_name: Tony full_name: Hull, Tony last_name: Hull - first_name: Ron full_name: Hunt, Ron last_name: Hunt - first_name: Kevin full_name: Hurd, Kevin last_name: Hurd - first_name: Sandra full_name: Johnson, Sandra last_name: Johnson - first_name: Andrew full_name: Kissil, Andrew last_name: Kissil - first_name: Brent full_name: Knight, Brent last_name: Knight - first_name: Daniel full_name: Kolenz, Daniel last_name: Kolenz - first_name: Oliver full_name: Kraus, Oliver last_name: Kraus - first_name: John full_name: Krist, John last_name: Krist - first_name: Mary full_name: Li, Mary last_name: Li - first_name: Doug full_name: Lisman, Doug last_name: Lisman - first_name: Milan full_name: Mandic, Milan last_name: Mandic - first_name: John full_name: Mann, John last_name: Mann - first_name: Luis full_name: Marchen, Luis last_name: Marchen - first_name: Colleen Marrese-Reading full_name: Colleen Marrese-Reading, Colleen Marrese-Reading last_name: Colleen Marrese-Reading - first_name: Jonathan full_name: McCready, Jonathan last_name: McCready - first_name: Jim full_name: McGown, Jim last_name: McGown - first_name: Jessica full_name: Missun, Jessica last_name: Missun - first_name: Andrew full_name: Miyaguchi, Andrew last_name: Miyaguchi - first_name: Bradley full_name: Moore, Bradley last_name: Moore - first_name: Bijan full_name: Nemati, Bijan last_name: Nemati - first_name: Shouleh full_name: Nikzad, Shouleh last_name: Nikzad - first_name: Joel full_name: Nissen, Joel last_name: Nissen - first_name: Megan full_name: Novicki, Megan last_name: Novicki - first_name: Todd full_name: Perrine, Todd last_name: Perrine - first_name: Claudia full_name: Pineda, Claudia last_name: Pineda - first_name: Otto full_name: Polanco, Otto last_name: Polanco - first_name: Dustin full_name: Putnam, Dustin last_name: Putnam - first_name: Atif full_name: Qureshi, Atif last_name: Qureshi - first_name: Michael full_name: Richards, Michael last_name: Richards - first_name: A. J. Eldorado full_name: Riggs, A. J. Eldorado last_name: Riggs - first_name: Michael full_name: Rodgers, Michael last_name: Rodgers - first_name: Mike full_name: Rud, Mike last_name: Rud - first_name: Navtej full_name: Saini, Navtej last_name: Saini - first_name: Dan full_name: Scalisi, Dan last_name: Scalisi - first_name: Dan full_name: Scharf, Dan last_name: Scharf - first_name: Kevin full_name: Schulz, Kevin last_name: Schulz - first_name: Gene full_name: Serabyn, Gene last_name: Serabyn - first_name: Norbert full_name: Sigrist, Norbert last_name: Sigrist - first_name: Glory full_name: Sikkia, Glory last_name: Sikkia - first_name: Andrew full_name: Singleton, Andrew last_name: Singleton - first_name: Stuart full_name: Shaklan, Stuart last_name: Shaklan - first_name: Scott full_name: Smith, Scott last_name: Smith - first_name: Bart full_name: Southerd, Bart last_name: Southerd - first_name: Mark full_name: Stahl, Mark last_name: Stahl - first_name: John full_name: Steeves, John last_name: Steeves - first_name: Brian full_name: Sturges, Brian last_name: Sturges - first_name: Chris full_name: Sullivan, Chris last_name: Sullivan - first_name: Hao full_name: Tang, Hao last_name: Tang - first_name: Neil full_name: Taras, Neil last_name: Taras - first_name: Jonathan full_name: Tesch, Jonathan last_name: Tesch - first_name: Melissa full_name: Therrell, Melissa last_name: Therrell - first_name: Howard full_name: Tseng, Howard last_name: Tseng - first_name: Marty full_name: Valente, Marty last_name: Valente - first_name: David Van full_name: Buren, David Van last_name: Buren - first_name: Juan full_name: Villalvazo, Juan last_name: Villalvazo - first_name: Steve full_name: Warwick, Steve last_name: Warwick - first_name: David full_name: Webb, David last_name: Webb - first_name: Thomas full_name: Westerhoff, Thomas last_name: Westerhoff - first_name: Rush full_name: Wofford, Rush last_name: Wofford - first_name: Gordon full_name: Wu, Gordon last_name: Wu - first_name: Jahning full_name: Woo, Jahning last_name: Woo - first_name: Milana full_name: Wood, Milana last_name: Wood - first_name: John full_name: Ziemer, John last_name: Ziemer - first_name: Giada full_name: Arney, Giada last_name: Arney - first_name: Jay full_name: Anderson, Jay last_name: Anderson - first_name: Jesús Maíz-Apellániz full_name: Jesús Maíz-Apellániz, Jesús Maíz-Apellániz last_name: Jesús Maíz-Apellániz - first_name: James full_name: Bartlett, James last_name: Bartlett - first_name: Ruslan full_name: Belikov, Ruslan last_name: Belikov - first_name: Eduardo full_name: Bendek, Eduardo last_name: Bendek - first_name: Brad full_name: Cenko, Brad last_name: Cenko - first_name: Ewan full_name: Douglas, Ewan last_name: Douglas - first_name: Shannon full_name: Dulz, Shannon last_name: Dulz - first_name: Chris full_name: Evans, Chris last_name: Evans - first_name: Virginie full_name: Faramaz, Virginie last_name: Faramaz - first_name: Y. Katherina full_name: Feng, Y. Katherina last_name: Feng - first_name: Harry full_name: Ferguson, Harry last_name: Ferguson - first_name: Kate full_name: Follette, Kate last_name: Follette - first_name: Saavik full_name: Ford, Saavik last_name: Ford - first_name: Miriam full_name: García, Miriam last_name: García - first_name: Marla full_name: Geha, Marla last_name: Geha - first_name: Dawn full_name: Gelino, Dawn last_name: Gelino - first_name: Ylva Louise Linsdotter full_name: Götberg, Ylva Louise Linsdotter id: d0648d0c-0f64-11ee-a2e0-dd0faa2e4f7d last_name: Götberg orcid: 0000-0002-6960-6911 - first_name: Sergi full_name: Hildebrandt, Sergi last_name: Hildebrandt - first_name: Renyu full_name: Hu, Renyu last_name: Hu - first_name: Knud full_name: Jahnke, Knud last_name: Jahnke - first_name: Grant full_name: Kennedy, Grant last_name: Kennedy - first_name: Laura full_name: Kreidberg, Laura last_name: Kreidberg - first_name: Andrea full_name: Isella, Andrea last_name: Isella - first_name: Eric full_name: Lopez, Eric last_name: Lopez - first_name: Franck full_name: Marchis, Franck last_name: Marchis - first_name: Lucas full_name: Macri, Lucas last_name: Macri - first_name: Mark full_name: Marley, Mark last_name: Marley - first_name: William full_name: Matzko, William last_name: Matzko - first_name: Johan full_name: Mazoyer, Johan last_name: Mazoyer - first_name: Stephan full_name: McCandliss, Stephan last_name: McCandliss - first_name: Tiffany full_name: Meshkat, Tiffany last_name: Meshkat - first_name: Christoph full_name: Mordasini, Christoph last_name: Mordasini - first_name: Patrick full_name: Morris, Patrick last_name: Morris - first_name: Eric full_name: Nielsen, Eric last_name: Nielsen - first_name: Patrick full_name: Newman, Patrick last_name: Newman - first_name: Erik full_name: Petigura, Erik last_name: Petigura - first_name: Marc full_name: Postman, Marc last_name: Postman - first_name: Amy full_name: Reines, Amy last_name: Reines - first_name: Aki full_name: Roberge, Aki last_name: Roberge - first_name: Ian full_name: Roederer, Ian last_name: Roederer - first_name: Garreth full_name: Ruane, Garreth last_name: Ruane - first_name: Edouard full_name: Schwieterman, Edouard last_name: Schwieterman - first_name: Dan full_name: Sirbu, Dan last_name: Sirbu - first_name: Christopher full_name: Spalding, Christopher last_name: Spalding - first_name: Harry full_name: Teplitz, Harry last_name: Teplitz - first_name: Jason full_name: Tumlinson, Jason last_name: Tumlinson - first_name: Neal full_name: Turner, Neal last_name: Turner - first_name: Jessica full_name: Werk, Jessica last_name: Werk - first_name: Aida full_name: Wofford, Aida last_name: Wofford - first_name: Mark full_name: Wyatt, Mark last_name: Wyatt - first_name: Amber full_name: Young, Amber last_name: Young - first_name: Rob full_name: Zellem, Rob last_name: Zellem citation: ama: Gaudi BS, Seager S, Mennesson B, et al. The habitable exoplanet observatory (HabEx) mission concept study final report. arXiv. doi:10.48550/arXiv.2001.06683 apa: Gaudi, B. S., Seager, S., Mennesson, B., Kiessling, A., Warfield, K., Cahoy, K., … Zellem, R. (n.d.). The habitable exoplanet observatory (HabEx) mission concept study final report. arXiv. https://doi.org/10.48550/arXiv.2001.06683 chicago: Gaudi, B. Scott, Sara Seager, Bertrand Mennesson, Alina Kiessling, Keith Warfield, Kerri Cahoy, John T. Clarke, et al. “The Habitable Exoplanet Observatory (HabEx) Mission Concept Study Final Report.” ArXiv, n.d. https://doi.org/10.48550/arXiv.2001.06683. ieee: B. S. Gaudi et al., “The habitable exoplanet observatory (HabEx) mission concept study final report,” arXiv. . ista: Gaudi BS et al. The habitable exoplanet observatory (HabEx) mission concept study final report. arXiv, 2001.06683. mla: Gaudi, B. Scott, et al. “The Habitable Exoplanet Observatory (HabEx) Mission Concept Study Final Report.” ArXiv, 2001.06683, doi:10.48550/arXiv.2001.06683. short: B.S. Gaudi, S. Seager, B. Mennesson, A. Kiessling, K. Warfield, K. Cahoy, J.T. Clarke, S.D.-G. Shawn Domagal-Goldman, L. Feinberg, O. Guyon, J. Kasdin, D. Mawet, P. Plavchan, T. Robinson, L. Rogers, P. Scowen, R. Somerville, K. Stapelfeldt, C. Stark, D. Stern, M. Turnbull, R. Amini, G. Kuan, S. Martin, R. Morgan, D. Redding, H.P. Stahl, R. Webb, O.A.-S. Oscar Alvarez-Salazar, W.L. Arnold, M. Arya, B. Balasubramanian, M. Baysinger, R. Bell, C. Below, J. Benson, L. Blais, J. Booth, R. Bourgeois, C. Bradford, A. Brewer, T. Brooks, E. Cady, M. Caldwell, R. Calvet, S. Carr, D. Chan, V. Cormarkovic, K. Coste, C. Cox, R. Danner, J. Davis, L. Dewell, L. Dorsett, D. Dunn, M. East, M. Effinger, R. Eng, G. Freebury, J. Garcia, J. Gaskin, S. Greene, J. Hennessy, E. Hilgemann, B. Hood, W. Holota, S. Howe, P. Huang, T. Hull, R. Hunt, K. Hurd, S. Johnson, A. Kissil, B. Knight, D. Kolenz, O. Kraus, J. Krist, M. Li, D. Lisman, M. Mandic, J. Mann, L. Marchen, C.M.-R. Colleen Marrese-Reading, J. McCready, J. McGown, J. Missun, A. Miyaguchi, B. Moore, B. Nemati, S. Nikzad, J. Nissen, M. Novicki, T. Perrine, C. Pineda, O. Polanco, D. Putnam, A. Qureshi, M. Richards, A.J.E. Riggs, M. Rodgers, M. Rud, N. Saini, D. Scalisi, D. Scharf, K. Schulz, G. Serabyn, N. Sigrist, G. Sikkia, A. Singleton, S. Shaklan, S. Smith, B. Southerd, M. Stahl, J. Steeves, B. Sturges, C. Sullivan, H. Tang, N. Taras, J. Tesch, M. Therrell, H. Tseng, M. Valente, D.V. Buren, J. Villalvazo, S. Warwick, D. Webb, T. Westerhoff, R. Wofford, G. Wu, J. Woo, M. Wood, J. Ziemer, G. Arney, J. Anderson, J.M.-A. Jesús Maíz-Apellániz, J. Bartlett, R. Belikov, E. Bendek, B. Cenko, E. Douglas, S. Dulz, C. Evans, V. Faramaz, Y.K. Feng, H. Ferguson, K. Follette, S. Ford, M. García, M. Geha, D. Gelino, Y.L.L. Götberg, S. Hildebrandt, R. Hu, K. Jahnke, G. Kennedy, L. Kreidberg, A. Isella, E. Lopez, F. Marchis, L. Macri, M. Marley, W. Matzko, J. Mazoyer, S. McCandliss, T. Meshkat, C. Mordasini, P. Morris, E. Nielsen, P. Newman, E. Petigura, M. Postman, A. Reines, A. Roberge, I. Roederer, G. Ruane, E. Schwieterman, D. Sirbu, C. Spalding, H. Teplitz, J. Tumlinson, N. Turner, J. Werk, A. Wofford, M. Wyatt, A. Young, R. Zellem, ArXiv (n.d.). date_created: 2023-08-21T10:10:21Z date_published: 2020-01-18T00:00:00Z date_updated: 2023-08-22T13:13:18Z day: '18' doi: 10.48550/arXiv.2001.06683 extern: '1' external_id: arxiv: - '2001.06683' language: - iso: eng main_file_link: - open_access: '1' url: ' https://doi.org/10.48550/arXiv.2001.06683' month: '01' oa: 1 oa_version: Preprint publication: arXiv publication_status: submitted status: public title: The habitable exoplanet observatory (HabEx) mission concept study final report type: preprint user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2020' ... --- _id: '14096' abstract: - lang: eng text: A binary neutron star merger has been observed in a multi-messenger detection of gravitational wave (GW) and electromagnetic (EM) radiation. Binary neutron stars that merge within a Hubble time, as well as many other compact binaries, are expected to form via common envelope evolution. Yet five decades of research on common envelope evolution have not yet resulted in a satisfactory understanding of the multi-spatial multi-timescale evolution for the systems that lead to compact binaries. In this paper, we report on the first successful simulations of common envelope ejection leading to binary neutron star formation in 3D hydrodynamics. We simulate the dynamical inspiral phase of the interaction between a 12M⊙ red supergiant and a 1.4M⊙ neutron star for different initial separations and initial conditions. For all of our simulations, we find complete envelope ejection and final orbital separations of af≈1.3-5.1R⊙ depending on the simulation and criterion, leading to binary neutron stars that can merge within a Hubble time. We find αCE-equivalent efficiencies of ≈0.1-2.7 depending on the simulation and criterion, but this may be specific for these extended progenitors. We fully resolve the core of the star to ≲0.005R⊙ and our 3D hydrodynamics simulations are informed by an adjusted 1D analytic energy formalism and a 2D kinematics study in order to overcome the prohibitive computational cost of simulating these systems. The framework we develop in this paper can be used to simulate a wide variety of interactions between stars, from stellar mergers to common envelope episodes leading to GW sources. article_number: '2011.06630' article_processing_charge: No arxiv: 1 author: - first_name: Jamie A. P. Law-Smith full_name: Jamie A. P. Law-Smith, Jamie A. P. Law-Smith last_name: Jamie A. P. Law-Smith - first_name: Rosa Wallace full_name: Everson, Rosa Wallace last_name: Everson - first_name: Enrico Ramirez-Ruiz full_name: Enrico Ramirez-Ruiz, Enrico Ramirez-Ruiz last_name: Enrico Ramirez-Ruiz - first_name: Selma E. de full_name: Mink, Selma E. de last_name: Mink - first_name: Lieke A. C. van full_name: Son, Lieke A. C. van last_name: Son - first_name: Ylva Louise Linsdotter full_name: Götberg, Ylva Louise Linsdotter id: d0648d0c-0f64-11ee-a2e0-dd0faa2e4f7d last_name: Götberg orcid: 0000-0002-6960-6911 - first_name: Stefan full_name: Zellmann, Stefan last_name: Zellmann - first_name: Alejandro Vigna-Gómez full_name: Alejandro Vigna-Gómez, Alejandro Vigna-Gómez last_name: Alejandro Vigna-Gómez - first_name: Mathieu full_name: Renzo, Mathieu last_name: Renzo - first_name: Samantha full_name: Wu, Samantha last_name: Wu - first_name: Sophie L. full_name: Schrøder, Sophie L. last_name: Schrøder - first_name: Ryan J. full_name: Foley, Ryan J. last_name: Foley - first_name: Tenley Hutchinson-Smith full_name: Tenley Hutchinson-Smith, Tenley Hutchinson-Smith last_name: Tenley Hutchinson-Smith citation: ama: Jamie A. P. Law-Smith JAPL-S, Everson RW, Enrico Ramirez-Ruiz ER-R, et al. Successful common envelope ejection and binary neutron star formation in 3D hydrodynamics. arXiv. doi:10.48550/arXiv.2011.06630 apa: Jamie A. P. Law-Smith, J. A. P. L.-S., Everson, R. W., Enrico Ramirez-Ruiz, E. R.-R., Mink, S. E. de, Son, L. A. C. van, Götberg, Y. L. L., … Tenley Hutchinson-Smith, T. H.-S. (n.d.). Successful common envelope ejection and binary neutron star formation in 3D hydrodynamics. arXiv. https://doi.org/10.48550/arXiv.2011.06630 chicago: Jamie A. P. Law-Smith, Jamie A. P. Law-Smith, Rosa Wallace Everson, Enrico Ramirez-Ruiz Enrico Ramirez-Ruiz, Selma E. de Mink, Lieke A. C. van Son, Ylva Louise Linsdotter Götberg, Stefan Zellmann, et al. “Successful Common Envelope Ejection and Binary Neutron Star Formation in 3D Hydrodynamics.” ArXiv, n.d. https://doi.org/10.48550/arXiv.2011.06630. ieee: J. A. P. L.-S. Jamie A. P. Law-Smith et al., “Successful common envelope ejection and binary neutron star formation in 3D hydrodynamics,” arXiv. . ista: Jamie A. P. Law-Smith JAPL-S, Everson RW, Enrico Ramirez-Ruiz ER-R, Mink SE de, Son LAC van, Götberg YLL, Zellmann S, Alejandro Vigna-Gómez AV-G, Renzo M, Wu S, Schrøder SL, Foley RJ, Tenley Hutchinson-Smith TH-S. Successful common envelope ejection and binary neutron star formation in 3D hydrodynamics. arXiv, 2011.06630. mla: Jamie A. P. Law-Smith, Jamie A. P. Law-Smith, et al. “Successful Common Envelope Ejection and Binary Neutron Star Formation in 3D Hydrodynamics.” ArXiv, 2011.06630, doi:10.48550/arXiv.2011.06630. short: J.A.P.L.-S. Jamie A. P. Law-Smith, R.W. Everson, E.R.-R. Enrico Ramirez-Ruiz, S.E. de Mink, L.A.C. van Son, Y.L.L. Götberg, S. Zellmann, A.V.-G. Alejandro Vigna-Gómez, M. Renzo, S. Wu, S.L. Schrøder, R.J. Foley, T.H.-S. Tenley Hutchinson-Smith, ArXiv (n.d.). date_created: 2023-08-21T10:10:41Z date_published: 2020-11-12T00:00:00Z date_updated: 2025-01-14T14:22:04Z day: '12' doi: 10.48550/arXiv.2011.06630 extern: '1' external_id: arxiv: - '2011.06630' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2011.06630 month: '11' oa: 1 oa_version: Preprint publication: arXiv publication_status: submitted status: public title: Successful common envelope ejection and binary neutron star formation in 3D hydrodynamics type: preprint user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2020' ... --- _id: '14125' abstract: - lang: eng text: "Motivation: Recent technological advances have led to an increase in the production and availability of single-cell data. The ability to integrate a set of multi-technology measurements would allow the identification of biologically or clinically meaningful observations through the unification of the perspectives afforded by each technology. In most cases, however, profiling technologies consume the used cells and thus pairwise correspondences between datasets are lost. Due to the sheer size single-cell datasets can acquire, scalable algorithms that are able to universally match single-cell measurements carried out in one cell to its corresponding sibling in another technology are needed.\r\nResults: We propose Single-Cell data Integration via Matching (SCIM), a scalable approach to recover such correspondences in two or more technologies. SCIM assumes that cells share a common (low-dimensional) underlying structure and that the underlying cell distribution is approximately constant across technologies. It constructs a technology-invariant latent space using an autoencoder framework with an adversarial objective. Multi-modal datasets are integrated by pairing cells across technologies using a bipartite matching scheme that operates on the low-dimensional latent representations. We evaluate SCIM on a simulated cellular branching process and show that the cell-to-cell matches derived by SCIM reflect the same pseudotime on the simulated dataset. Moreover, we apply our method to two real-world scenarios, a melanoma tumor sample and a human bone marrow sample, where we pair cells from a scRNA dataset to their sibling cells in a CyTOF dataset achieving 90% and 78% cell-matching accuracy for each one of the samples, respectively." article_processing_charge: No article_type: original author: - first_name: Stefan G full_name: Stark, Stefan G last_name: Stark - first_name: Joanna full_name: Ficek, Joanna last_name: Ficek - first_name: Francesco full_name: Locatello, Francesco id: 26cfd52f-2483-11ee-8040-88983bcc06d4 last_name: Locatello orcid: 0000-0002-4850-0683 - first_name: Ximena full_name: Bonilla, Ximena last_name: Bonilla - first_name: Stéphane full_name: Chevrier, Stéphane last_name: Chevrier - first_name: Franziska full_name: Singer, Franziska last_name: Singer - first_name: Rudolf full_name: Aebersold, Rudolf last_name: Aebersold - first_name: Faisal S full_name: Al-Quaddoomi, Faisal S last_name: Al-Quaddoomi - first_name: Jonas full_name: Albinus, Jonas last_name: Albinus - first_name: Ilaria full_name: Alborelli, Ilaria last_name: Alborelli - first_name: Sonali full_name: Andani, Sonali last_name: Andani - first_name: Per-Olof full_name: Attinger, Per-Olof last_name: Attinger - first_name: Marina full_name: Bacac, Marina last_name: Bacac - first_name: Daniel full_name: Baumhoer, Daniel last_name: Baumhoer - first_name: Beatrice full_name: Beck-Schimmer, Beatrice last_name: Beck-Schimmer - first_name: Niko full_name: Beerenwinkel, Niko last_name: Beerenwinkel - first_name: Christian full_name: Beisel, Christian last_name: Beisel - first_name: Lara full_name: Bernasconi, Lara last_name: Bernasconi - first_name: Anne full_name: Bertolini, Anne last_name: Bertolini - first_name: Bernd full_name: Bodenmiller, Bernd last_name: Bodenmiller - first_name: Ximena full_name: Bonilla, Ximena last_name: Bonilla - first_name: Ruben full_name: Casanova, Ruben last_name: Casanova - first_name: Stéphane full_name: Chevrier, Stéphane last_name: Chevrier - first_name: Natalia full_name: Chicherova, Natalia last_name: Chicherova - first_name: Maya full_name: D'Costa, Maya last_name: D'Costa - first_name: Esther full_name: Danenberg, Esther last_name: Danenberg - first_name: Natalie full_name: Davidson, Natalie last_name: Davidson - first_name: Monica-Andreea Dră full_name: gan, Monica-Andreea Dră last_name: gan - first_name: Reinhard full_name: Dummer, Reinhard last_name: Dummer - first_name: Stefanie full_name: Engler, Stefanie last_name: Engler - first_name: Martin full_name: Erkens, Martin last_name: Erkens - first_name: Katja full_name: Eschbach, Katja last_name: Eschbach - first_name: Cinzia full_name: Esposito, Cinzia last_name: Esposito - first_name: André full_name: Fedier, André last_name: Fedier - first_name: Pedro full_name: Ferreira, Pedro last_name: Ferreira - first_name: Joanna full_name: Ficek, Joanna last_name: Ficek - first_name: Anja L full_name: Frei, Anja L last_name: Frei - first_name: Bruno full_name: Frey, Bruno last_name: Frey - first_name: Sandra full_name: Goetze, Sandra last_name: Goetze - first_name: Linda full_name: Grob, Linda last_name: Grob - first_name: Gabriele full_name: Gut, Gabriele last_name: Gut - first_name: Detlef full_name: Günther, Detlef last_name: Günther - first_name: Martina full_name: Haberecker, Martina last_name: Haberecker - first_name: Pirmin full_name: Haeuptle, Pirmin last_name: Haeuptle - first_name: Viola full_name: Heinzelmann-Schwarz, Viola last_name: Heinzelmann-Schwarz - first_name: Sylvia full_name: Herter, Sylvia last_name: Herter - first_name: Rene full_name: Holtackers, Rene last_name: Holtackers - first_name: Tamara full_name: Huesser, Tamara last_name: Huesser - first_name: Anja full_name: Irmisch, Anja last_name: Irmisch - first_name: Francis full_name: Jacob, Francis last_name: Jacob - first_name: Andrea full_name: Jacobs, Andrea last_name: Jacobs - first_name: Tim M full_name: Jaeger, Tim M last_name: Jaeger - first_name: Katharina full_name: Jahn, Katharina last_name: Jahn - first_name: Alva R full_name: James, Alva R last_name: James - first_name: Philip M full_name: Jermann, Philip M last_name: Jermann - first_name: André full_name: Kahles, André last_name: Kahles - first_name: Abdullah full_name: Kahraman, Abdullah last_name: Kahraman - first_name: Viktor H full_name: Koelzer, Viktor H last_name: Koelzer - first_name: Werner full_name: Kuebler, Werner last_name: Kuebler - first_name: Jack full_name: Kuipers, Jack last_name: Kuipers - first_name: Christian P full_name: Kunze, Christian P last_name: Kunze - first_name: Christian full_name: Kurzeder, Christian last_name: Kurzeder - first_name: Kjong-Van full_name: Lehmann, Kjong-Van last_name: Lehmann - first_name: Mitchell full_name: Levesque, Mitchell last_name: Levesque - first_name: Sebastian full_name: Lugert, Sebastian last_name: Lugert - first_name: Gerd full_name: Maass, Gerd last_name: Maass - first_name: Markus full_name: Manz, Markus last_name: Manz - first_name: Philipp full_name: Markolin, Philipp last_name: Markolin - first_name: Julien full_name: Mena, Julien last_name: Mena - first_name: Ulrike full_name: Menzel, Ulrike last_name: Menzel - first_name: Julian M full_name: Metzler, Julian M last_name: Metzler - first_name: Nicola full_name: Miglino, Nicola last_name: Miglino - first_name: Emanuela S full_name: Milani, Emanuela S last_name: Milani - first_name: Holger full_name: Moch, Holger last_name: Moch - first_name: Simone full_name: Muenst, Simone last_name: Muenst - first_name: Riccardo full_name: Murri, Riccardo last_name: Murri - first_name: Charlotte KY full_name: Ng, Charlotte KY last_name: Ng - first_name: Stefan full_name: Nicolet, Stefan last_name: Nicolet - first_name: Marta full_name: Nowak, Marta last_name: Nowak - first_name: Patrick GA full_name: Pedrioli, Patrick GA last_name: Pedrioli - first_name: Lucas full_name: Pelkmans, Lucas last_name: Pelkmans - first_name: Salvatore full_name: Piscuoglio, Salvatore last_name: Piscuoglio - first_name: Michael full_name: Prummer, Michael last_name: Prummer - first_name: Mathilde full_name: Ritter, Mathilde last_name: Ritter - first_name: Christian full_name: Rommel, Christian last_name: Rommel - first_name: María L full_name: Rosano-González, María L last_name: Rosano-González - first_name: Gunnar full_name: Rätsch, Gunnar last_name: Rätsch - first_name: Natascha full_name: Santacroce, Natascha last_name: Santacroce - first_name: Jacobo Sarabia del full_name: Castillo, Jacobo Sarabia del last_name: Castillo - first_name: Ramona full_name: Schlenker, Ramona last_name: Schlenker - first_name: Petra C full_name: Schwalie, Petra C last_name: Schwalie - first_name: Severin full_name: Schwan, Severin last_name: Schwan - first_name: Tobias full_name: Schär, Tobias last_name: Schär - first_name: Gabriela full_name: Senti, Gabriela last_name: Senti - first_name: Franziska full_name: Singer, Franziska last_name: Singer - first_name: Sujana full_name: Sivapatham, Sujana last_name: Sivapatham - first_name: Berend full_name: Snijder, Berend last_name: Snijder - first_name: Bettina full_name: Sobottka, Bettina last_name: Sobottka - first_name: Vipin T full_name: Sreedharan, Vipin T last_name: Sreedharan - first_name: Stefan full_name: Stark, Stefan last_name: Stark - first_name: Daniel J full_name: Stekhoven, Daniel J last_name: Stekhoven - first_name: Alexandre PA full_name: Theocharides, Alexandre PA last_name: Theocharides - first_name: Tinu M full_name: Thomas, Tinu M last_name: Thomas - first_name: Markus full_name: Tolnay, Markus last_name: Tolnay - first_name: Vinko full_name: Tosevski, Vinko last_name: Tosevski - first_name: Nora C full_name: Toussaint, Nora C last_name: Toussaint - first_name: Mustafa A full_name: Tuncel, Mustafa A last_name: Tuncel - first_name: Marina full_name: Tusup, Marina last_name: Tusup - first_name: Audrey Van full_name: Drogen, Audrey Van last_name: Drogen - first_name: Marcus full_name: Vetter, Marcus last_name: Vetter - first_name: Tatjana full_name: Vlajnic, Tatjana last_name: Vlajnic - first_name: Sandra full_name: Weber, Sandra last_name: Weber - first_name: Walter P full_name: Weber, Walter P last_name: Weber - first_name: Rebekka full_name: Wegmann, Rebekka last_name: Wegmann - first_name: Michael full_name: Weller, Michael last_name: Weller - first_name: Fabian full_name: Wendt, Fabian last_name: Wendt - first_name: Norbert full_name: Wey, Norbert last_name: Wey - first_name: Andreas full_name: Wicki, Andreas last_name: Wicki - first_name: Bernd full_name: Wollscheid, Bernd last_name: Wollscheid - first_name: Shuqing full_name: Yu, Shuqing last_name: Yu - first_name: Johanna full_name: Ziegler, Johanna last_name: Ziegler - first_name: Marc full_name: Zimmermann, Marc last_name: Zimmermann - first_name: Martin full_name: Zoche, Martin last_name: Zoche - first_name: Gregor full_name: Zuend, Gregor last_name: Zuend - first_name: Gunnar full_name: Rätsch, Gunnar last_name: Rätsch - first_name: Kjong-Van full_name: Lehmann, Kjong-Van last_name: Lehmann citation: ama: 'Stark SG, Ficek J, Locatello F, et al. SCIM: Universal single-cell matching with unpaired feature sets. Bioinformatics. 2020;36(Supplement_2):i919-i927. doi:10.1093/bioinformatics/btaa843' apa: 'Stark, S. G., Ficek, J., Locatello, F., Bonilla, X., Chevrier, S., Singer, F., … Lehmann, K.-V. (2020). SCIM: Universal single-cell matching with unpaired feature sets. Bioinformatics. Oxford University Press. https://doi.org/10.1093/bioinformatics/btaa843' chicago: 'Stark, Stefan G, Joanna Ficek, Francesco Locatello, Ximena Bonilla, Stéphane Chevrier, Franziska Singer, Rudolf Aebersold, et al. “SCIM: Universal Single-Cell Matching with Unpaired Feature Sets.” Bioinformatics. Oxford University Press, 2020. https://doi.org/10.1093/bioinformatics/btaa843.' ieee: 'S. G. Stark et al., “SCIM: Universal single-cell matching with unpaired feature sets,” Bioinformatics, vol. 36, no. Supplement_2. Oxford University Press, pp. i919–i927, 2020.' ista: 'Stark SG et al. 2020. SCIM: Universal single-cell matching with unpaired feature sets. Bioinformatics. 36(Supplement_2), i919–i927.' mla: 'Stark, Stefan G., et al. “SCIM: Universal Single-Cell Matching with Unpaired Feature Sets.” Bioinformatics, vol. 36, no. Supplement_2, Oxford University Press, 2020, pp. i919–27, doi:10.1093/bioinformatics/btaa843.' short: S.G. Stark, J. Ficek, F. Locatello, X. Bonilla, S. Chevrier, F. Singer, R. Aebersold, F.S. Al-Quaddoomi, J. Albinus, I. Alborelli, S. Andani, P.-O. Attinger, M. Bacac, D. Baumhoer, B. Beck-Schimmer, N. Beerenwinkel, C. Beisel, L. Bernasconi, A. Bertolini, B. Bodenmiller, X. Bonilla, R. Casanova, S. Chevrier, N. Chicherova, M. D’Costa, E. Danenberg, N. Davidson, M.-A.D. gan, R. Dummer, S. Engler, M. Erkens, K. Eschbach, C. Esposito, A. Fedier, P. Ferreira, J. Ficek, A.L. Frei, B. Frey, S. Goetze, L. Grob, G. Gut, D. Günther, M. Haberecker, P. Haeuptle, V. Heinzelmann-Schwarz, S. Herter, R. Holtackers, T. Huesser, A. Irmisch, F. Jacob, A. Jacobs, T.M. Jaeger, K. Jahn, A.R. James, P.M. Jermann, A. Kahles, A. Kahraman, V.H. Koelzer, W. Kuebler, J. Kuipers, C.P. Kunze, C. Kurzeder, K.-V. Lehmann, M. Levesque, S. Lugert, G. Maass, M. Manz, P. Markolin, J. Mena, U. Menzel, J.M. Metzler, N. Miglino, E.S. Milani, H. Moch, S. Muenst, R. Murri, C.K. Ng, S. Nicolet, M. Nowak, P.G. Pedrioli, L. Pelkmans, S. Piscuoglio, M. Prummer, M. Ritter, C. Rommel, M.L. Rosano-González, G. Rätsch, N. Santacroce, J.S. del Castillo, R. Schlenker, P.C. Schwalie, S. Schwan, T. Schär, G. Senti, F. Singer, S. Sivapatham, B. Snijder, B. Sobottka, V.T. Sreedharan, S. Stark, D.J. Stekhoven, A.P. Theocharides, T.M. Thomas, M. Tolnay, V. Tosevski, N.C. Toussaint, M.A. Tuncel, M. Tusup, A.V. Drogen, M. Vetter, T. Vlajnic, S. Weber, W.P. Weber, R. Wegmann, M. Weller, F. Wendt, N. Wey, A. Wicki, B. Wollscheid, S. Yu, J. Ziegler, M. Zimmermann, M. Zoche, G. Zuend, G. Rätsch, K.-V. Lehmann, Bioinformatics 36 (2020) i919–i927. date_created: 2023-08-21T12:28:20Z date_published: 2020-12-01T00:00:00Z date_updated: 2023-09-11T10:21:00Z day: '01' department: - _id: FrLo doi: 10.1093/bioinformatics/btaa843 extern: '1' external_id: pmid: - '33381818' intvolume: ' 36' issue: Supplement_2 keyword: - Computational Mathematics - Computational Theory and Mathematics - Computer Science Applications - Molecular Biology - Biochemistry - Statistics and Probability language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1093/bioinformatics/btaa843 month: '12' oa: 1 oa_version: Published Version page: i919-i927 pmid: 1 publication: Bioinformatics publication_identifier: eissn: - 1367-4811 publication_status: published publisher: Oxford University Press quality_controlled: '1' related_material: link: - relation: software url: https://github.com/ratschlab/scim scopus_import: '1' status: public title: 'SCIM: Universal single-cell matching with unpaired feature sets' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 36 year: '2020' ... --- _id: '14186' abstract: - lang: eng text: "The goal of the unsupervised learning of disentangled representations is to\r\nseparate the independent explanatory factors of variation in the data without\r\naccess to supervision. In this paper, we summarize the results of Locatello et\r\nal., 2019, and focus on their implications for practitioners. We discuss the\r\ntheoretical result showing that the unsupervised learning of disentangled\r\nrepresentations is fundamentally impossible without inductive biases and the\r\npractical challenges it entails. Finally, we comment on our experimental\r\nfindings, highlighting the limitations of state-of-the-art approaches and\r\ndirections for future research." article_processing_charge: No arxiv: 1 author: - first_name: Francesco full_name: Locatello, Francesco id: 26cfd52f-2483-11ee-8040-88983bcc06d4 last_name: Locatello orcid: 0000-0002-4850-0683 - first_name: Stefan full_name: Bauer, Stefan last_name: Bauer - first_name: Mario full_name: Lucic, Mario last_name: Lucic - first_name: Gunnar full_name: Rätsch, Gunnar last_name: Rätsch - first_name: Sylvain full_name: Gelly, Sylvain last_name: Gelly - first_name: Bernhard full_name: Schölkopf, Bernhard last_name: Schölkopf - first_name: Olivier full_name: Bachem, Olivier last_name: Bachem citation: ama: 'Locatello F, Bauer S, Lucic M, et al. A commentary on the unsupervised learning of disentangled representations. In: The 34th AAAI Conference on Artificial Intelligence. Vol 34. Association for the Advancement of Artificial Intelligence; 2020:13681-13684. doi:10.1609/aaai.v34i09.7120' apa: 'Locatello, F., Bauer, S., Lucic, M., Rätsch, G., Gelly, S., Schölkopf, B., & Bachem, O. (2020). A commentary on the unsupervised learning of disentangled representations. In The 34th AAAI Conference on Artificial Intelligence (Vol. 34, pp. 13681–13684). New York, NY, United States: Association for the Advancement of Artificial Intelligence. https://doi.org/10.1609/aaai.v34i09.7120' chicago: Locatello, Francesco, Stefan Bauer, Mario Lucic, Gunnar Rätsch, Sylvain Gelly, Bernhard Schölkopf, and Olivier Bachem. “A Commentary on the Unsupervised Learning of Disentangled Representations.” In The 34th AAAI Conference on Artificial Intelligence, 34:13681–84. Association for the Advancement of Artificial Intelligence, 2020. https://doi.org/10.1609/aaai.v34i09.7120. ieee: F. Locatello et al., “A commentary on the unsupervised learning of disentangled representations,” in The 34th AAAI Conference on Artificial Intelligence, New York, NY, United States, 2020, vol. 34, no. 9, pp. 13681–13684. ista: 'Locatello F, Bauer S, Lucic M, Rätsch G, Gelly S, Schölkopf B, Bachem O. 2020. A commentary on the unsupervised learning of disentangled representations. The 34th AAAI Conference on Artificial Intelligence. AAAI: Conference on Artificial Intelligence vol. 34, 13681–13684.' mla: Locatello, Francesco, et al. “A Commentary on the Unsupervised Learning of Disentangled Representations.” The 34th AAAI Conference on Artificial Intelligence, vol. 34, no. 9, Association for the Advancement of Artificial Intelligence, 2020, pp. 13681–84, doi:10.1609/aaai.v34i09.7120. short: F. Locatello, S. Bauer, M. Lucic, G. Rätsch, S. Gelly, B. Schölkopf, O. Bachem, in:, The 34th AAAI Conference on Artificial Intelligence, Association for the Advancement of Artificial Intelligence, 2020, pp. 13681–13684. conference: end_date: 2020-02-12 location: New York, NY, United States name: 'AAAI: Conference on Artificial Intelligence' start_date: 2020-02-07 date_created: 2023-08-22T14:07:26Z date_published: 2020-07-28T00:00:00Z date_updated: 2023-09-12T07:44:48Z day: '28' department: - _id: FrLo doi: 10.1609/aaai.v34i09.7120 extern: '1' external_id: arxiv: - '2007.14184' intvolume: ' 34' issue: '9' language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/2007.14184 month: '07' oa: 1 oa_version: Preprint page: 13681-13684 publication: The 34th AAAI Conference on Artificial Intelligence publication_identifier: eissn: - 2374-3468 isbn: - '9781577358350' publication_status: published publisher: Association for the Advancement of Artificial Intelligence quality_controlled: '1' scopus_import: '1' status: public title: A commentary on the unsupervised learning of disentangled representations type: conference user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 34 year: '2020' ... --- _id: '14187' abstract: - lang: eng text: "We propose a novel Stochastic Frank-Wolfe (a.k.a. conditional gradient)\r\nalgorithm for constrained smooth finite-sum minimization with a generalized\r\nlinear prediction/structure. This class of problems includes empirical risk\r\nminimization with sparse, low-rank, or other structured constraints. The\r\nproposed method is simple to implement, does not require step-size tuning, and\r\nhas a constant per-iteration cost that is independent of the dataset size.\r\nFurthermore, as a byproduct of the method we obtain a stochastic estimator of\r\nthe Frank-Wolfe gap that can be used as a stopping criterion. Depending on the\r\nsetting, the proposed method matches or improves on the best computational\r\nguarantees for Stochastic Frank-Wolfe algorithms. Benchmarks on several\r\ndatasets highlight different regimes in which the proposed method exhibits a\r\nfaster empirical convergence than related methods. Finally, we provide an\r\nimplementation of all considered methods in an open-source package." alternative_title: - PMLR article_processing_charge: No arxiv: 1 author: - first_name: Geoffrey full_name: Négiar, Geoffrey last_name: Négiar - first_name: Gideon full_name: Dresdner, Gideon last_name: Dresdner - first_name: Alicia full_name: Tsai, Alicia last_name: Tsai - first_name: Laurent El full_name: Ghaoui, Laurent El last_name: Ghaoui - first_name: Francesco full_name: Locatello, Francesco id: 26cfd52f-2483-11ee-8040-88983bcc06d4 last_name: Locatello orcid: 0000-0002-4850-0683 - first_name: Robert M. full_name: Freund, Robert M. last_name: Freund - first_name: Fabian full_name: Pedregosa, Fabian last_name: Pedregosa citation: ama: 'Négiar G, Dresdner G, Tsai A, et al. Stochastic Frank-Wolfe for constrained finite-sum minimization. In: Proceedings of the 37th International Conference on Machine Learning. Vol 119. ; 2020:7253-7262.' apa: Négiar, G., Dresdner, G., Tsai, A., Ghaoui, L. E., Locatello, F., Freund, R. M., & Pedregosa, F. (2020). Stochastic Frank-Wolfe for constrained finite-sum minimization. In Proceedings of the 37th International Conference on Machine Learning (Vol. 119, pp. 7253–7262). Virtual. chicago: Négiar, Geoffrey, Gideon Dresdner, Alicia Tsai, Laurent El Ghaoui, Francesco Locatello, Robert M. Freund, and Fabian Pedregosa. “Stochastic Frank-Wolfe for Constrained Finite-Sum Minimization.” In Proceedings of the 37th International Conference on Machine Learning, 119:7253–62, 2020. ieee: G. Négiar et al., “Stochastic Frank-Wolfe for constrained finite-sum minimization,” in Proceedings of the 37th International Conference on Machine Learning, Virtual, 2020, vol. 119, pp. 7253–7262. ista: Négiar G, Dresdner G, Tsai A, Ghaoui LE, Locatello F, Freund RM, Pedregosa F. 2020. Stochastic Frank-Wolfe for constrained finite-sum minimization. Proceedings of the 37th International Conference on Machine Learning. International Conference on Machine Learning, PMLR, vol. 119, 7253–7262. mla: Négiar, Geoffrey, et al. “Stochastic Frank-Wolfe for Constrained Finite-Sum Minimization.” Proceedings of the 37th International Conference on Machine Learning, vol. 119, 2020, pp. 7253–62. short: G. Négiar, G. Dresdner, A. Tsai, L.E. Ghaoui, F. Locatello, R.M. Freund, F. Pedregosa, in:, Proceedings of the 37th International Conference on Machine Learning, 2020, pp. 7253–7262. conference: end_date: 2020-07-18 location: Virtual name: International Conference on Machine Learning start_date: 2020-07-13 date_created: 2023-08-22T14:07:52Z date_published: 2020-07-27T00:00:00Z date_updated: 2023-09-12T08:03:40Z day: '27' department: - _id: FrLo extern: '1' external_id: arxiv: - '2002.11860' intvolume: ' 119' language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/2002.11860 month: '07' oa: 1 oa_version: Preprint page: 7253-7262 publication: Proceedings of the 37th International Conference on Machine Learning publication_status: published quality_controlled: '1' status: public title: Stochastic Frank-Wolfe for constrained finite-sum minimization type: conference user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 119 year: '2020' ... --- _id: '14188' abstract: - lang: eng text: "Intelligent agents should be able to learn useful representations by\r\nobserving changes in their environment. We model such observations as pairs of\r\nnon-i.i.d. images sharing at least one of the underlying factors of variation.\r\nFirst, we theoretically show that only knowing how many factors have changed,\r\nbut not which ones, is sufficient to learn disentangled representations.\r\nSecond, we provide practical algorithms that learn disentangled representations\r\nfrom pairs of images without requiring annotation of groups, individual\r\nfactors, or the number of factors that have changed. Third, we perform a\r\nlarge-scale empirical study and show that such pairs of observations are\r\nsufficient to reliably learn disentangled representations on several benchmark\r\ndata sets. Finally, we evaluate our learned representations and find that they\r\nare simultaneously useful on a diverse suite of tasks, including generalization\r\nunder covariate shifts, fairness, and abstract reasoning. Overall, our results\r\ndemonstrate that weak supervision enables learning of useful disentangled\r\nrepresentations in realistic scenarios." alternative_title: - PMLR article_processing_charge: No arxiv: 1 author: - first_name: Francesco full_name: Locatello, Francesco id: 26cfd52f-2483-11ee-8040-88983bcc06d4 last_name: Locatello orcid: 0000-0002-4850-0683 - first_name: Ben full_name: Poole, Ben last_name: Poole - first_name: Gunnar full_name: Rätsch, Gunnar last_name: Rätsch - first_name: Bernhard full_name: Schölkopf, Bernhard last_name: Schölkopf - first_name: Olivier full_name: Bachem, Olivier last_name: Bachem - first_name: Michael full_name: Tschannen, Michael last_name: Tschannen citation: ama: 'Locatello F, Poole B, Rätsch G, Schölkopf B, Bachem O, Tschannen M. Weakly-supervised disentanglement without compromises. In: Proceedings of the 37th International Conference on Machine Learning. Vol 119. ; 2020:6348–6359.' apa: Locatello, F., Poole, B., Rätsch, G., Schölkopf, B., Bachem, O., & Tschannen, M. (2020). Weakly-supervised disentanglement without compromises. In Proceedings of the 37th International Conference on Machine Learning (Vol. 119, pp. 6348–6359). Virtual. chicago: Locatello, Francesco, Ben Poole, Gunnar Rätsch, Bernhard Schölkopf, Olivier Bachem, and Michael Tschannen. “Weakly-Supervised Disentanglement without Compromises.” In Proceedings of the 37th International Conference on Machine Learning, 119:6348–6359, 2020. ieee: F. Locatello, B. Poole, G. Rätsch, B. Schölkopf, O. Bachem, and M. Tschannen, “Weakly-supervised disentanglement without compromises,” in Proceedings of the 37th International Conference on Machine Learning, Virtual, 2020, vol. 119, pp. 6348–6359. ista: Locatello F, Poole B, Rätsch G, Schölkopf B, Bachem O, Tschannen M. 2020. Weakly-supervised disentanglement without compromises. Proceedings of the 37th International Conference on Machine Learning. International Conference on Machine Learning, PMLR, vol. 119, 6348–6359. mla: Locatello, Francesco, et al. “Weakly-Supervised Disentanglement without Compromises.” Proceedings of the 37th International Conference on Machine Learning, vol. 119, 2020, pp. 6348–6359. short: F. Locatello, B. Poole, G. Rätsch, B. Schölkopf, O. Bachem, M. Tschannen, in:, Proceedings of the 37th International Conference on Machine Learning, 2020, pp. 6348–6359. conference: end_date: 2020-07-18 location: Virtual name: International Conference on Machine Learning start_date: 2020-07-13 date_created: 2023-08-22T14:08:14Z date_published: 2020-07-07T00:00:00Z date_updated: 2024-10-14T12:28:02Z day: '07' department: - _id: FrLo extern: '1' external_id: arxiv: - '2002.02886' intvolume: ' 119' language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/2002.02886 month: '07' oa: 1 oa_version: Preprint page: 6348–6359 publication: Proceedings of the 37th International Conference on Machine Learning publication_status: published quality_controlled: '1' scopus_import: '1' status: public title: Weakly-supervised disentanglement without compromises type: conference user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 119 year: '2020' ... --- _id: '14195' abstract: - lang: eng text: "The idea behind the unsupervised learning of disentangled representations is that real-world data is generated by a few explanatory factors of variation which can be recovered by unsupervised learning algorithms. In this paper, we provide a sober look at recent progress in the field and challenge some common assumptions. We first theoretically show that the unsupervised learning of disentangled representations is fundamentally impossible without inductive biases on both the models and the data. Then, we train over 14000\r\n models covering most prominent methods and evaluation metrics in a reproducible large-scale experimental study on eight data sets. We observe that while the different methods successfully enforce properties “encouraged” by the corresponding losses, well-disentangled models seemingly cannot be identified without supervision. Furthermore, different evaluation metrics do not always agree on what should be considered “disentangled” and exhibit systematic differences in the estimation. Finally, increased disentanglement does not seem to necessarily lead to a decreased sample complexity of learning for downstream tasks. Our results suggest that future work on disentanglement learning should be explicit about the role of inductive biases and (implicit) supervision, investigate concrete benefits of enforcing disentanglement of the learned representations, and consider a reproducible experimental setup covering several data sets." article_number: '209' article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Francesco full_name: Locatello, Francesco id: 26cfd52f-2483-11ee-8040-88983bcc06d4 last_name: Locatello orcid: 0000-0002-4850-0683 - first_name: Stefan full_name: Bauer, Stefan last_name: Bauer - first_name: Mario full_name: Lucic, Mario last_name: Lucic - first_name: Gunnar full_name: Rätsch, Gunnar last_name: Rätsch - first_name: Sylvain full_name: Gelly, Sylvain last_name: Gelly - first_name: Bernhard full_name: Schölkopf, Bernhard last_name: Schölkopf - first_name: Olivier full_name: Bachem, Olivier last_name: Bachem citation: ama: Locatello F, Bauer S, Lucic M, et al. A sober look at the unsupervised learning of disentangled representations and their evaluation. Journal of Machine Learning Research. 2020;21. apa: Locatello, F., Bauer, S., Lucic, M., Rätsch, G., Gelly, S., Schölkopf, B., & Bachem, O. (2020). A sober look at the unsupervised learning of disentangled representations and their evaluation. Journal of Machine Learning Research. MIT Press. chicago: Locatello, Francesco, Stefan Bauer, Mario Lucic, Gunnar Rätsch, Sylvain Gelly, Bernhard Schölkopf, and Olivier Bachem. “A Sober Look at the Unsupervised Learning of Disentangled Representations and Their Evaluation.” Journal of Machine Learning Research. MIT Press, 2020. ieee: F. Locatello et al., “A sober look at the unsupervised learning of disentangled representations and their evaluation,” Journal of Machine Learning Research, vol. 21. MIT Press, 2020. ista: Locatello F, Bauer S, Lucic M, Rätsch G, Gelly S, Schölkopf B, Bachem O. 2020. A sober look at the unsupervised learning of disentangled representations and their evaluation. Journal of Machine Learning Research. 21, 209. mla: Locatello, Francesco, et al. “A Sober Look at the Unsupervised Learning of Disentangled Representations and Their Evaluation.” Journal of Machine Learning Research, vol. 21, 209, MIT Press, 2020. short: F. Locatello, S. Bauer, M. Lucic, G. Rätsch, S. Gelly, B. Schölkopf, O. Bachem, Journal of Machine Learning Research 21 (2020). date_created: 2023-08-22T14:10:34Z date_published: 2020-09-01T00:00:00Z date_updated: 2024-10-14T12:28:26Z day: '01' ddc: - '000' department: - _id: FrLo extern: '1' external_id: arxiv: - '2010.14766' has_accepted_license: '1' intvolume: ' 21' language: - iso: eng license: https://creativecommons.org/licenses/by/4.0/ main_file_link: - open_access: '1' url: https://jmlr.csail.mit.edu/papers/v21/19-976.html month: '09' oa: 1 oa_version: Published Version publication: Journal of Machine Learning Research publication_status: published publisher: MIT Press quality_controlled: '1' scopus_import: '1' status: public title: A sober look at the unsupervised learning of disentangled representations and their evaluation tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 21 year: '2020' ... --- _id: '14326' abstract: - lang: eng text: "Learning object-centric representations of complex scenes is a promising step towards enabling efficient abstract reasoning from low-level perceptual features. Yet, most deep learning approaches learn distributed representations that do not capture the compositional properties of natural scenes. In this paper, we present the Slot Attention module, an architectural component that interfaces with perceptual representations such as the output of a convolutional neural network and produces a set of task-dependent abstract representations which we call slots. These slots are exchangeable and can bind to any object in the input by specializing through a competitive procedure over multiple rounds of attention. We empirically demonstrate that Slot Attention can extract object-centric representations that enable generalization to unseen compositions when trained on unsupervised object discovery and supervised property prediction tasks.\r\n\r\n" alternative_title: - Advances in Neural Information Processing Systems article_processing_charge: No arxiv: 1 author: - first_name: Francesco full_name: Locatello, Francesco id: 26cfd52f-2483-11ee-8040-88983bcc06d4 last_name: Locatello orcid: 0000-0002-4850-0683 - first_name: Dirk full_name: Weissenborn, Dirk last_name: Weissenborn - first_name: Thomas full_name: Unterthiner, Thomas last_name: Unterthiner - first_name: Aravindh full_name: Mahendran, Aravindh last_name: Mahendran - first_name: Georg full_name: Heigold, Georg last_name: Heigold - first_name: Jakob full_name: Uszkoreit, Jakob last_name: Uszkoreit - first_name: Alexey full_name: Dosovitskiy, Alexey last_name: Dosovitskiy - first_name: Thomas full_name: Kipf, Thomas last_name: Kipf citation: ama: 'Locatello F, Weissenborn D, Unterthiner T, et al. Object-centric learning with slot attention. In: 34th International Conference on Neural Information Processing Systems. Vol 33. Neural Information Processing Systems Foundation; 2020:11525-11538.' apa: 'Locatello, F., Weissenborn, D., Unterthiner, T., Mahendran, A., Heigold, G., Uszkoreit, J., … Kipf, T. (2020). Object-centric learning with slot attention. In 34th International Conference on Neural Information Processing Systems (Vol. 33, pp. 11525–11538). Virtual: Neural Information Processing Systems Foundation.' chicago: Locatello, Francesco, Dirk Weissenborn, Thomas Unterthiner, Aravindh Mahendran, Georg Heigold, Jakob Uszkoreit, Alexey Dosovitskiy, and Thomas Kipf. “Object-Centric Learning with Slot Attention.” In 34th International Conference on Neural Information Processing Systems, 33:11525–38. Neural Information Processing Systems Foundation, 2020. ieee: F. Locatello et al., “Object-centric learning with slot attention,” in 34th International Conference on Neural Information Processing Systems, Virtual, 2020, vol. 33, pp. 11525–11538. ista: 'Locatello F, Weissenborn D, Unterthiner T, Mahendran A, Heigold G, Uszkoreit J, Dosovitskiy A, Kipf T. 2020. Object-centric learning with slot attention. 34th International Conference on Neural Information Processing Systems. NeurIPS: Neural Information Processing Systems, Advances in Neural Information Processing Systems, vol. 33, 11525–11538.' mla: Locatello, Francesco, et al. “Object-Centric Learning with Slot Attention.” 34th International Conference on Neural Information Processing Systems, vol. 33, Neural Information Processing Systems Foundation, 2020, pp. 11525–38. short: F. Locatello, D. Weissenborn, T. Unterthiner, A. Mahendran, G. Heigold, J. Uszkoreit, A. Dosovitskiy, T. Kipf, in:, 34th International Conference on Neural Information Processing Systems, Neural Information Processing Systems Foundation, 2020, pp. 11525–11538. conference: end_date: 2020-12-12 location: Virtual name: 'NeurIPS: Neural Information Processing Systems' start_date: 2020-12-06 date_created: 2023-09-13T12:03:46Z date_published: 2020-12-20T00:00:00Z date_updated: 2025-07-10T11:50:47Z day: '20' department: - _id: FrLo extern: '1' external_id: arxiv: - '2006.15055' intvolume: ' 33' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.2006.15055 month: '12' oa: 1 oa_version: Preprint page: 11525-11538 publication: 34th International Conference on Neural Information Processing Systems publication_identifier: eissn: - 1049-5258 isbn: - '9781713829546' publication_status: published publisher: Neural Information Processing Systems Foundation quality_controlled: '1' status: public title: Object-centric learning with slot attention type: conference user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 33 year: '2020' ... --- _id: '14592' abstract: - lang: eng text: Cryo-electron microscopy (cryo-EM) of cellular specimens provides insights into biological processes and structures within a native context. However, a major challenge still lies in the efficient and reproducible preparation of adherent cells for subsequent cryo-EM analysis. This is due to the sensitivity of many cellular specimens to the varying seeding and culturing conditions required for EM experiments, the often limited amount of cellular material and also the fragility of EM grids and their substrate. Here, we present low-cost and reusable 3D printed grid holders, designed to improve specimen preparation when culturing challenging cellular samples directly on grids. The described grid holders increase cell culture reproducibility and throughput, and reduce the resources required for cell culturing. We show that grid holders can be integrated into various cryo-EM workflows, including micro-patterning approaches to control cell seeding on grids, and for generating samples for cryo-focused ion beam milling and cryo-electron tomography experiments. Their adaptable design allows for the generation of specialized grid holders customized to a large variety of applications. article_processing_charge: No author: - first_name: Florian KM full_name: Schur, Florian KM id: 48AD8942-F248-11E8-B48F-1D18A9856A87 last_name: Schur orcid: 0000-0003-4790-8078 citation: ama: Schur FK. STL-files for 3D-printed grid holders described in  Fäßler F, Zens B, et al.; 3D printed cell culture grid holders for improved cellular specimen preparation in cryo-electron microscopy. 2020. doi:10.15479/AT:ISTA:14592 apa: Schur, F. K. (2020). STL-files for 3D-printed grid holders described in  Fäßler F, Zens B, et al.; 3D printed cell culture grid holders for improved cellular specimen preparation in cryo-electron microscopy. Institute of Science and Technology Austria. https://doi.org/10.15479/AT:ISTA:14592 chicago: Schur, Florian KM. “STL-Files for 3D-Printed Grid Holders Described in  Fäßler F, Zens B, et Al.; 3D Printed Cell Culture Grid Holders for Improved Cellular Specimen Preparation in Cryo-Electron Microscopy.” Institute of Science and Technology Austria, 2020. https://doi.org/10.15479/AT:ISTA:14592. ieee: F. K. Schur, “STL-files for 3D-printed grid holders described in  Fäßler F, Zens B, et al.; 3D printed cell culture grid holders for improved cellular specimen preparation in cryo-electron microscopy.” Institute of Science and Technology Austria, 2020. ista: Schur FK. 2020. STL-files for 3D-printed grid holders described in  Fäßler F, Zens B, et al.; 3D printed cell culture grid holders for improved cellular specimen preparation in cryo-electron microscopy, Institute of Science and Technology Austria, 10.15479/AT:ISTA:14592. mla: Schur, Florian KM. STL-Files for 3D-Printed Grid Holders Described in  Fäßler F, Zens B, et Al.; 3D Printed Cell Culture Grid Holders for Improved Cellular Specimen Preparation in Cryo-Electron Microscopy. Institute of Science and Technology Austria, 2020, doi:10.15479/AT:ISTA:14592. short: F.K. Schur, (2020). contributor: - contributor_type: researcher first_name: Florian id: 404F5528-F248-11E8-B48F-1D18A9856A87 last_name: Fäßler orcid: 0000-0001-7149-769X - contributor_type: researcher first_name: Bettina id: 45FD126C-F248-11E8-B48F-1D18A9856A87 last_name: Zens - contributor_type: researcher first_name: Robert id: 4E01D6B4-F248-11E8-B48F-1D18A9856A87 last_name: Hauschild - contributor_type: researcher first_name: Florian KM id: 48AD8942-F248-11E8-B48F-1D18A9856A87 last_name: Schur orcid: 0000-0003-4790-8078 corr_author: '1' date_created: 2023-11-22T15:00:57Z date_published: 2020-12-01T00:00:00Z date_updated: 2025-06-12T07:35:28Z day: '01' ddc: - '570' department: - _id: FlSc doi: 10.15479/AT:ISTA:14592 file: - access_level: open_access checksum: 0108616e2a59e51879ea51299a29b091 content_type: application/zip creator: fschur date_created: 2023-11-22T14:58:44Z date_updated: 2023-11-22T14:58:44Z file_id: '14593' file_name: 3Dprint-files_download_v2.zip file_size: 49297 relation: main_file success: 1 - access_level: open_access checksum: 4c66ddedee4d01c1c4a7978208350cfc content_type: text/plain creator: cchlebak date_created: 2023-12-01T10:39:59Z date_updated: 2023-12-01T10:39:59Z file_id: '14637' file_name: readme.txt file_size: 641 relation: main_file success: 1 file_date_updated: 2023-12-01T10:39:59Z has_accepted_license: '1' license: https://creativecommons.org/licenses/by-nc-sa/4.0/ month: '12' oa: 1 oa_version: Published Version project: - _id: 9B954C5C-BA93-11EA-9121-9846C619BF3A grant_number: P33367 name: Structure and isoform diversity of the Arp2/3 complex publisher: Institute of Science and Technology Austria related_material: record: - id: '8586' relation: research_data status: public status: public title: STL-files for 3D-printed grid holders described in Fäßler F, Zens B, et al.; 3D printed cell culture grid holders for improved cellular specimen preparation in cryo-electron microscopy tmp: image: /images/cc_by_nc_sa.png legal_code_url: https://creativecommons.org/licenses/by-nc-sa/4.0/legalcode name: Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) short: CC BY-NC-SA (4.0) type: research_data user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 year: '2020' ... --- _id: '14694' abstract: - lang: eng text: We study the unique solution m of the Dyson equation \( -m(z)^{-1} = z\1 - a + S[m(z)] \) on a von Neumann algebra A with the constraint Imm≥0. Here, z lies in the complex upper half-plane, a is a self-adjoint element of A and S is a positivity-preserving linear operator on A. We show that m is the Stieltjes transform of a compactly supported A-valued measure on R. Under suitable assumptions, we establish that this measure has a uniformly 1/3-Hölder continuous density with respect to the Lebesgue measure, which is supported on finitely many intervals, called bands. In fact, the density is analytic inside the bands with a square-root growth at the edges and internal cubic root cusps whenever the gap between two bands vanishes. The shape of these singularities is universal and no other singularity may occur. We give a precise asymptotic description of m near the singular points. These asymptotics generalize the analysis at the regular edges given in the companion paper on the Tracy-Widom universality for the edge eigenvalue statistics for correlated random matrices [the first author et al., Ann. Probab. 48, No. 2, 963--1001 (2020; Zbl 1434.60017)] and they play a key role in the proof of the Pearcey universality at the cusp for Wigner-type matrices [G. Cipolloni et al., Pure Appl. Anal. 1, No. 4, 615--707 (2019; Zbl 07142203); the second author et al., Commun. Math. Phys. 378, No. 2, 1203--1278 (2020; Zbl 07236118)]. We also extend the finite dimensional band mass formula from [the first author et al., loc. cit.] to the von Neumann algebra setting by showing that the spectral mass of the bands is topologically rigid under deformations and we conclude that these masses are quantized in some important cases. article_processing_charge: Yes article_type: original arxiv: 1 author: - first_name: Johannes full_name: Alt, Johannes id: 36D3D8B6-F248-11E8-B48F-1D18A9856A87 last_name: Alt - first_name: László full_name: Erdös, László id: 4DBD5372-F248-11E8-B48F-1D18A9856A87 last_name: Erdös orcid: 0000-0001-5366-9603 - first_name: Torben H full_name: Krüger, Torben H id: 3020C786-F248-11E8-B48F-1D18A9856A87 last_name: Krüger orcid: 0000-0002-4821-3297 citation: ama: 'Alt J, Erdös L, Krüger TH. The Dyson equation with linear self-energy: Spectral bands, edges and cusps. Documenta Mathematica. 2020;25:1421-1539. doi:10.4171/dm/780' apa: 'Alt, J., Erdös, L., & Krüger, T. H. (2020). The Dyson equation with linear self-energy: Spectral bands, edges and cusps. Documenta Mathematica. EMS Press. https://doi.org/10.4171/dm/780' chicago: 'Alt, Johannes, László Erdös, and Torben H Krüger. “The Dyson Equation with Linear Self-Energy: Spectral Bands, Edges and Cusps.” Documenta Mathematica. EMS Press, 2020. https://doi.org/10.4171/dm/780.' ieee: 'J. Alt, L. Erdös, and T. H. Krüger, “The Dyson equation with linear self-energy: Spectral bands, edges and cusps,” Documenta Mathematica, vol. 25. EMS Press, pp. 1421–1539, 2020.' ista: 'Alt J, Erdös L, Krüger TH. 2020. The Dyson equation with linear self-energy: Spectral bands, edges and cusps. Documenta Mathematica. 25, 1421–1539.' mla: 'Alt, Johannes, et al. “The Dyson Equation with Linear Self-Energy: Spectral Bands, Edges and Cusps.” Documenta Mathematica, vol. 25, EMS Press, 2020, pp. 1421–539, doi:10.4171/dm/780.' short: J. Alt, L. Erdös, T.H. Krüger, Documenta Mathematica 25 (2020) 1421–1539. corr_author: '1' date_created: 2023-12-18T10:37:43Z date_published: 2020-09-01T00:00:00Z date_updated: 2025-04-15T08:05:00Z day: '01' ddc: - '510' department: - _id: LaEr doi: 10.4171/dm/780 external_id: arxiv: - '1804.07752' file: - access_level: open_access checksum: 12aacc1d63b852ff9a51c1f6b218d4a6 content_type: application/pdf creator: dernst date_created: 2023-12-18T10:42:32Z date_updated: 2023-12-18T10:42:32Z file_id: '14695' file_name: 2020_DocumentaMathematica_Alt.pdf file_size: 1374708 relation: main_file success: 1 file_date_updated: 2023-12-18T10:42:32Z has_accepted_license: '1' intvolume: ' 25' keyword: - General Mathematics language: - iso: eng month: '09' oa: 1 oa_version: Published Version page: 1421-1539 publication: Documenta Mathematica publication_identifier: eissn: - 1431-0643 issn: - 1431-0635 publication_status: published publisher: EMS Press quality_controlled: '1' related_material: record: - id: '6183' relation: earlier_version status: public status: public title: 'The Dyson equation with linear self-energy: Spectral bands, edges and cusps' tmp: image: /images/cc_by.png legal_code_url: https://creativecommons.org/licenses/by/4.0/legalcode name: Creative Commons Attribution 4.0 International Public License (CC-BY 4.0) short: CC BY (4.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 25 year: '2020' ... --- _id: '179' abstract: - lang: eng text: An asymptotic formula is established for the number of rational points of bounded anticanonical height which lie on a certain Zariski dense subset of the biprojective hypersurface x1y21+⋯+x4y24=0 in ℙ3×ℙ3. This confirms the modified Manin conjecture for this variety, in which the removal of a thin set of rational points is allowed. article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Timothy D full_name: Browning, Timothy D id: 35827D50-F248-11E8-B48F-1D18A9856A87 last_name: Browning orcid: 0000-0002-8314-0177 - first_name: Roger full_name: Heath Brown, Roger last_name: Heath Brown citation: ama: Browning TD, Heath Brown R. Density of rational points on a quadric bundle in ℙ3×ℙ3. Duke Mathematical Journal. 2020;169(16):3099-3165. doi:10.1215/00127094-2020-0031 apa: Browning, T. D., & Heath Brown, R. (2020). Density of rational points on a quadric bundle in ℙ3×ℙ3. Duke Mathematical Journal. Duke University Press. https://doi.org/10.1215/00127094-2020-0031 chicago: Browning, Timothy D, and Roger Heath Brown. “Density of Rational Points on a Quadric Bundle in ℙ3×ℙ3.” Duke Mathematical Journal. Duke University Press, 2020. https://doi.org/10.1215/00127094-2020-0031. ieee: T. D. Browning and R. Heath Brown, “Density of rational points on a quadric bundle in ℙ3×ℙ3,” Duke Mathematical Journal, vol. 169, no. 16. Duke University Press, pp. 3099–3165, 2020. ista: Browning TD, Heath Brown R. 2020. Density of rational points on a quadric bundle in ℙ3×ℙ3. Duke Mathematical Journal. 169(16), 3099–3165. mla: Browning, Timothy D., and Roger Heath Brown. “Density of Rational Points on a Quadric Bundle in ℙ3×ℙ3.” Duke Mathematical Journal, vol. 169, no. 16, Duke University Press, 2020, pp. 3099–165, doi:10.1215/00127094-2020-0031. short: T.D. Browning, R. Heath Brown, Duke Mathematical Journal 169 (2020) 3099–3165. date_created: 2018-12-11T11:45:02Z date_published: 2020-09-10T00:00:00Z date_updated: 2024-10-21T06:02:33Z day: '10' department: - _id: TiBr doi: 10.1215/00127094-2020-0031 external_id: arxiv: - '1805.10715' isi: - '000582676300002' intvolume: ' 169' isi: 1 issue: '16' language: - iso: eng main_file_link: - open_access: '1' url: https://arxiv.org/abs/1805.10715 month: '09' oa: 1 oa_version: Preprint page: 3099-3165 publication: Duke Mathematical Journal publication_identifier: issn: - 0012-7094 publication_status: published publisher: Duke University Press quality_controlled: '1' scopus_import: '1' status: public title: Density of rational points on a quadric bundle in ℙ3×ℙ3 type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 169 year: '2020' ... --- OA_type: closed access _id: '17902' abstract: - lang: eng text: Probing structural changes of a molecule induced by charge transfer is important for understanding the physicochemical properties of molecules and developing new electronic devices. Here, we interrogate the structural changes of a single diketopyrrolopyrrole (DPP) molecule induced by charge transport at a high bias using scanning tunneling microscope break junction (STM-BJ) techniques. Specifically, we demonstrate that application of a high bias increases the average nonresonant conductance of single Au–DPP–Au junctions. We infer from the increased conductance that resonant charge transport induces planarization of the molecular backbone. We further show that this conformational planarization is assisted by thermally activated junction reorganization. The planarization only occurs under specific electronic conditions, which we rationalize by ab initio calculations. These results emphasize the need for a comprehensive view of single-molecule junctions which includes both the electronic properties and structure of the molecules and the electrodes when designing electrically driven single-molecule motors. article_processing_charge: No article_type: letter_note author: - first_name: Yaping full_name: Zang, Yaping last_name: Zang - first_name: E-Dean full_name: Fung, E-Dean last_name: Fung - first_name: Tianren full_name: Fu, Tianren last_name: Fu - first_name: Suman full_name: Ray, Suman last_name: Ray - first_name: Marc H. full_name: Garner, Marc H. last_name: Garner - first_name: Anders full_name: Borges, Anders last_name: Borges - first_name: Michael L. full_name: Steigerwald, Michael L. last_name: Steigerwald - first_name: Satish full_name: Patil, Satish last_name: Patil - first_name: Gemma full_name: Solomon, Gemma last_name: Solomon - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Zang Y, Fung E-D, Fu T, et al. Voltage-induced single-molecule junction planarization. Nano Letters. 2020;21(1):673-679. doi:10.1021/acs.nanolett.0c04260 apa: Zang, Y., Fung, E.-D., Fu, T., Ray, S., Garner, M. H., Borges, A., … Venkataraman, L. (2020). Voltage-induced single-molecule junction planarization. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c04260 chicago: Zang, Yaping, E-Dean Fung, Tianren Fu, Suman Ray, Marc H. Garner, Anders Borges, Michael L. Steigerwald, Satish Patil, Gemma Solomon, and Latha Venkataraman. “Voltage-Induced Single-Molecule Junction Planarization.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c04260. ieee: Y. Zang et al., “Voltage-induced single-molecule junction planarization,” Nano Letters, vol. 21, no. 1. American Chemical Society, pp. 673–679, 2020. ista: Zang Y, Fung E-D, Fu T, Ray S, Garner MH, Borges A, Steigerwald ML, Patil S, Solomon G, Venkataraman L. 2020. Voltage-induced single-molecule junction planarization. Nano Letters. 21(1), 673–679. mla: Zang, Yaping, et al. “Voltage-Induced Single-Molecule Junction Planarization.” Nano Letters, vol. 21, no. 1, American Chemical Society, 2020, pp. 673–79, doi:10.1021/acs.nanolett.0c04260. short: Y. Zang, E.-D. Fung, T. Fu, S. Ray, M.H. Garner, A. Borges, M.L. Steigerwald, S. Patil, G. Solomon, L. Venkataraman, Nano Letters 21 (2020) 673–679. date_created: 2024-09-09T06:48:30Z date_published: 2020-12-18T00:00:00Z date_updated: 2024-12-10T10:26:22Z day: '18' doi: 10.1021/acs.nanolett.0c04260 extern: '1' external_id: pmid: - '33337876' intvolume: ' 21' issue: '1' language: - iso: eng month: '12' oa_version: None page: 673-679 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Voltage-induced single-molecule junction planarization type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 21 year: '2020' ... --- OA_type: closed access _id: '17903' abstract: - lang: eng text: Light emission from tunnel junctions are a potential photon source for nanophotonic applications. Surprisingly, the photons emitted can have energies exceeding the energy supplied to the electrons by the bias. Three mechanisms for generating these so-called overbias photons have been proposed, but the relationship between these mechanisms has not been clarified. In this work, we argue that multielectron processes provide the best framework for understanding overbias light emission in tunnel junctions. Experimentally, we demonstrate for the first time that the superlinear dependence of emission on conductance predicted by this theory is robust to the temperature of the tunnel junction, indicating that tunnel junctions are a promising candidate for electrically driven broadband photon sources. article_processing_charge: No article_type: letter_note author: - first_name: E-Dean full_name: Fung, E-Dean last_name: Fung - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: 'Fung E-D, Venkataraman L. Too cool for blackbody radiation: Overbias photon emission in ambient STM due to multielectron processes. Nano Letters. 2020;20(12):8912-8918. doi:10.1021/acs.nanolett.0c03994' apa: 'Fung, E.-D., & Venkataraman, L. (2020). Too cool for blackbody radiation: Overbias photon emission in ambient STM due to multielectron processes. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c03994' chicago: 'Fung, E-Dean, and Latha Venkataraman. “Too Cool for Blackbody Radiation: Overbias Photon Emission in Ambient STM Due to Multielectron Processes.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c03994.' ieee: 'E.-D. Fung and L. Venkataraman, “Too cool for blackbody radiation: Overbias photon emission in ambient STM due to multielectron processes,” Nano Letters, vol. 20, no. 12. American Chemical Society, pp. 8912–8918, 2020.' ista: 'Fung E-D, Venkataraman L. 2020. Too cool for blackbody radiation: Overbias photon emission in ambient STM due to multielectron processes. Nano Letters. 20(12), 8912–8918.' mla: 'Fung, E. Dean, and Latha Venkataraman. “Too Cool for Blackbody Radiation: Overbias Photon Emission in Ambient STM Due to Multielectron Processes.” Nano Letters, vol. 20, no. 12, American Chemical Society, 2020, pp. 8912–18, doi:10.1021/acs.nanolett.0c03994.' short: E.-D. Fung, L. Venkataraman, Nano Letters 20 (2020) 8912–8918. date_created: 2024-09-09T07:12:19Z date_published: 2020-11-18T00:00:00Z date_updated: 2024-12-10T10:28:52Z day: '18' doi: 10.1021/acs.nanolett.0c03994 extern: '1' external_id: pmid: - '33206534' intvolume: ' 20' issue: '12' language: - iso: eng month: '11' oa_version: None page: 8912-8918 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Too cool for blackbody radiation: Overbias photon emission in ambient STM due to multielectron processes' type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 20 year: '2020' ... --- OA_type: closed access _id: '17904' abstract: - lang: eng text: The creation of stable molecular monolayers on metallic surfaces is a fundamental challenge of surface chemistry. N-Heterocyclic carbenes (NHCs) were recently shown to form self-assembled monolayers that are significantly more stable than the traditional thiols on Au system. Here we theoretically and experimentally demonstrate that the smallest cyclic carbene, cyclopropenylidene, binds even more strongly than NHCs to Au surfaces without altering the surface structure. We deposit bis(diisopropylamino)cyclopropenylidene (BAC) on Au(111) using the molecular adduct BAC–CO2 as a precursor and determine the structure, geometry, and behavior of the surface-bound molecules through high-resolution X-ray photoelectron spectroscopy, atomic force microscopy, and scanning tunneling microscopy. Our experiments are supported by density functional theory calculations of the molecular binding energy of BAC on Au(111) and its electronic structure. Our work is the first demonstration of surface modification with a stable carbene other than NHC; more broadly, it drives further exploration of various carbenes on metal surfaces. article_processing_charge: No article_type: letter_note author: - first_name: Evan A. full_name: Doud, Evan A. last_name: Doud - first_name: Rachel L. full_name: Starr, Rachel L. last_name: Starr - first_name: Gregor full_name: Kladnik, Gregor last_name: Kladnik - first_name: Anastasia full_name: Voevodin, Anastasia last_name: Voevodin - first_name: Enrique full_name: Montes, Enrique last_name: Montes - first_name: Narendra P. full_name: Arasu, Narendra P. last_name: Arasu - first_name: Yaping full_name: Zang, Yaping last_name: Zang - first_name: Percy full_name: Zahl, Percy last_name: Zahl - first_name: Alberto full_name: Morgante, Alberto last_name: Morgante - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 - first_name: Héctor full_name: Vázquez, Héctor last_name: Vázquez - first_name: Dean full_name: Cvetko, Dean last_name: Cvetko - first_name: Xavier full_name: Roy, Xavier last_name: Roy citation: ama: Doud EA, Starr RL, Kladnik G, et al. Cyclopropenylidenes as strong carbene anchoring groups on Au surfaces. Journal of the American Chemical Society. 2020;142(47):19902-19906. doi:10.1021/jacs.0c10743 apa: Doud, E. A., Starr, R. L., Kladnik, G., Voevodin, A., Montes, E., Arasu, N. P., … Roy, X. (2020). Cyclopropenylidenes as strong carbene anchoring groups on Au surfaces. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c10743 chicago: Doud, Evan A., Rachel L. Starr, Gregor Kladnik, Anastasia Voevodin, Enrique Montes, Narendra P. Arasu, Yaping Zang, et al. “Cyclopropenylidenes as Strong Carbene Anchoring Groups on Au Surfaces.” Journal of the American Chemical Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c10743. ieee: E. A. Doud et al., “Cyclopropenylidenes as strong carbene anchoring groups on Au surfaces,” Journal of the American Chemical Society, vol. 142, no. 47. American Chemical Society, pp. 19902–19906, 2020. ista: Doud EA, Starr RL, Kladnik G, Voevodin A, Montes E, Arasu NP, Zang Y, Zahl P, Morgante A, Venkataraman L, Vázquez H, Cvetko D, Roy X. 2020. Cyclopropenylidenes as strong carbene anchoring groups on Au surfaces. Journal of the American Chemical Society. 142(47), 19902–19906. mla: Doud, Evan A., et al. “Cyclopropenylidenes as Strong Carbene Anchoring Groups on Au Surfaces.” Journal of the American Chemical Society, vol. 142, no. 47, American Chemical Society, 2020, pp. 19902–06, doi:10.1021/jacs.0c10743. short: E.A. Doud, R.L. Starr, G. Kladnik, A. Voevodin, E. Montes, N.P. Arasu, Y. Zang, P. Zahl, A. Morgante, L. Venkataraman, H. Vázquez, D. Cvetko, X. Roy, Journal of the American Chemical Society 142 (2020) 19902–19906. date_created: 2024-09-09T07:13:45Z date_published: 2020-11-11T00:00:00Z date_updated: 2024-12-10T10:34:58Z day: '11' doi: 10.1021/jacs.0c10743 extern: '1' external_id: pmid: - '33175526' intvolume: ' 142' issue: '47' language: - iso: eng month: '11' oa_version: None page: 19902-19906 pmid: 1 publication: Journal of the American Chemical Society publication_identifier: eissn: - 1520-5126 issn: - 0002-7863 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Cyclopropenylidenes as strong carbene anchoring groups on Au surfaces type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 142 year: '2020' ... --- DOAJ_listed: '1' OA_place: publisher OA_type: gold _id: '17905' abstract: - lang: eng text: A series of four oligomers of cyclopentadithiophene-vinylenes end capped with pyridine groups was prepared and their optical and electronic properties studied. Treatment with trifluoroacetic acid (TFA) leads to the bisprotonation of the nitrogens of the pyridine, which has an important impact on the optical properties. Excess treatment with TFA provokes the oxidation of the conjugated core, generating radical cations and dications. The ease of the TFA treatment in solution was extended to protonation in the solid-state where further characterization of the neutral and TFA-treated samples was carried out in electrically active substrates in organic field-effect transistors. Finally, the new molecules were found to be excellent conductors in single-molecule junctions thanks to strong electron delocalization and resonance orbital mediated transport. These studies show the opening of a spectrum of possibilities by suitable terminal substitution of π-cores. article_processing_charge: Yes article_type: original author: - first_name: Fernando G. full_name: Guijarro, Fernando G. last_name: Guijarro - first_name: Samara full_name: Medina Rivero, Samara last_name: Medina Rivero - first_name: Suman full_name: Gunasekaran, Suman last_name: Gunasekaran - first_name: Iratxe full_name: Arretxea, Iratxe last_name: Arretxea - first_name: Rocío full_name: Ponce Ortiz, Rocío last_name: Ponce Ortiz - first_name: Rubén full_name: Caballero, Rubén last_name: Caballero - first_name: Pilar de la full_name: Cruz, Pilar de la last_name: Cruz - first_name: Fernando full_name: Langa, Fernando last_name: Langa - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 - first_name: Juan full_name: Casado, Juan last_name: Casado citation: ama: Guijarro FG, Medina Rivero S, Gunasekaran S, et al. Synthesis and electronic properties of pyridine end-capped cyclopentadithiophene-vinylene oligomers. RSC Advances. 2020;10(68):41264-41271. doi:10.1039/d0ra08220a apa: Guijarro, F. G., Medina Rivero, S., Gunasekaran, S., Arretxea, I., Ponce Ortiz, R., Caballero, R., … Casado, J. (2020). Synthesis and electronic properties of pyridine end-capped cyclopentadithiophene-vinylene oligomers. RSC Advances. Royal Society of Chemistry. https://doi.org/10.1039/d0ra08220a chicago: Guijarro, Fernando G., Samara Medina Rivero, Suman Gunasekaran, Iratxe Arretxea, Rocío Ponce Ortiz, Rubén Caballero, Pilar de la Cruz, Fernando Langa, Latha Venkataraman, and Juan Casado. “Synthesis and Electronic Properties of Pyridine End-Capped Cyclopentadithiophene-Vinylene Oligomers.” RSC Advances. Royal Society of Chemistry, 2020. https://doi.org/10.1039/d0ra08220a. ieee: F. G. Guijarro et al., “Synthesis and electronic properties of pyridine end-capped cyclopentadithiophene-vinylene oligomers,” RSC Advances, vol. 10, no. 68. Royal Society of Chemistry, pp. 41264–41271, 2020. ista: Guijarro FG, Medina Rivero S, Gunasekaran S, Arretxea I, Ponce Ortiz R, Caballero R, Cruz P de la, Langa F, Venkataraman L, Casado J. 2020. Synthesis and electronic properties of pyridine end-capped cyclopentadithiophene-vinylene oligomers. RSC Advances. 10(68), 41264–41271. mla: Guijarro, Fernando G., et al. “Synthesis and Electronic Properties of Pyridine End-Capped Cyclopentadithiophene-Vinylene Oligomers.” RSC Advances, vol. 10, no. 68, Royal Society of Chemistry, 2020, pp. 41264–71, doi:10.1039/d0ra08220a. short: F.G. Guijarro, S. Medina Rivero, S. Gunasekaran, I. Arretxea, R. Ponce Ortiz, R. Caballero, P. de la Cruz, F. Langa, L. Venkataraman, J. Casado, RSC Advances 10 (2020) 41264–41271. date_created: 2024-09-09T07:14:34Z date_published: 2020-11-11T00:00:00Z date_updated: 2024-12-10T10:38:07Z day: '11' doi: 10.1039/d0ra08220a extern: '1' external_id: pmid: - '35516533' intvolume: ' 10' issue: '68' language: - iso: eng license: https://creativecommons.org/licenses/by-nc/3.0/ month: '11' oa_version: Published Version page: 41264-41271 pmid: 1 publication: RSC Advances publication_identifier: issn: - 2046-2069 publication_status: published publisher: Royal Society of Chemistry quality_controlled: '1' scopus_import: '1' status: public title: Synthesis and electronic properties of pyridine end-capped cyclopentadithiophene-vinylene oligomers tmp: image: /images/cc_by_nc.png legal_code_url: https://creativecommons.org/licenses/by-nc/3.0/legalcode name: Creative Commons Attribution-NonCommercial 3.0 Unported (CC BY-NC 3.0) short: CC BY-NC (3.0) type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 10 year: '2020' ... --- OA_type: closed access _id: '17906' abstract: - lang: eng text: One-dimensional sp-hybridized carbon wires, including cumulenes and polyynes, can be regarded as finite versions of carbynes. They are likely to be good candidates for molecular-scale conducting wires as they are predicted to have a high-conductance. In this study, we first characterize the single-molecule conductance of a series of cumulenes and polyynes with a backbone ranging in length from 4 to 8 carbon atoms, including [7]cumulene, the longest cumulenic carbon wire studied to date for molecular electronics. We observe different length dependence of conductance when comparing these two forms of carbon wires. Polyynes exhibit conductance decays with increasing molecular length, while cumulenes show a conductance increase with increasing molecular length. Their distinct conducting behaviors are attributed to their different bond length alternation, which is supported by theoretical calculations. This study confirms the long-standing theoretical predictions on sp-hybridized carbon wires and demonstrates that cumulenes can form highly conducting molecular wires. article_processing_charge: No article_type: letter_note author: - first_name: Yaping full_name: Zang, Yaping last_name: Zang - first_name: Tianren full_name: Fu, Tianren last_name: Fu - first_name: Qi full_name: Zou, Qi last_name: Zou - first_name: Fay full_name: Ng, Fay last_name: Ng - first_name: Hexing full_name: Li, Hexing last_name: Li - first_name: Michael L. full_name: Steigerwald, Michael L. last_name: Steigerwald - first_name: Colin full_name: Nuckolls, Colin last_name: Nuckolls - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Zang Y, Fu T, Zou Q, et al. Cumulene wires display increasing conductance with increasing length. Nano Letters. 2020;20(11):8415-8419. doi:10.1021/acs.nanolett.0c03794 apa: Zang, Y., Fu, T., Zou, Q., Ng, F., Li, H., Steigerwald, M. L., … Venkataraman, L. (2020). Cumulene wires display increasing conductance with increasing length. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c03794 chicago: Zang, Yaping, Tianren Fu, Qi Zou, Fay Ng, Hexing Li, Michael L. Steigerwald, Colin Nuckolls, and Latha Venkataraman. “Cumulene Wires Display Increasing Conductance with Increasing Length.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c03794. ieee: Y. Zang et al., “Cumulene wires display increasing conductance with increasing length,” Nano Letters, vol. 20, no. 11. American Chemical Society, pp. 8415–8419, 2020. ista: Zang Y, Fu T, Zou Q, Ng F, Li H, Steigerwald ML, Nuckolls C, Venkataraman L. 2020. Cumulene wires display increasing conductance with increasing length. Nano Letters. 20(11), 8415–8419. mla: Zang, Yaping, et al. “Cumulene Wires Display Increasing Conductance with Increasing Length.” Nano Letters, vol. 20, no. 11, American Chemical Society, 2020, pp. 8415–19, doi:10.1021/acs.nanolett.0c03794. short: Y. Zang, T. Fu, Q. Zou, F. Ng, H. Li, M.L. Steigerwald, C. Nuckolls, L. Venkataraman, Nano Letters 20 (2020) 8415–8419. date_created: 2024-09-09T07:16:20Z date_published: 2020-10-23T00:00:00Z date_updated: 2024-12-10T10:41:40Z day: '23' doi: 10.1021/acs.nanolett.0c03794 extern: '1' external_id: pmid: - '33095021' intvolume: ' 20' issue: '11' language: - iso: eng month: '10' oa_version: None page: 8415-8419 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Cumulene wires display increasing conductance with increasing length type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 20 year: '2020' ... --- OA_type: closed access _id: '17907' abstract: - lang: eng text: Carbyne is a linear allotrope of carbon that is composed of a chain of sp-hybridized carbon atoms. Through appropriate engineering of the chain termination, carbyne can harbor helical states where the π-electron delocalization twists along the axis of the chain. Herein, we present a comprehensive analysis of these helical states at the tight-binding level. We demonstrate that, in general, the molecular orbital coefficients of the helical states trace out an ellipse, in analogy to elliptically polarized light. Helical states can be realized in a model, inspired by the structure of cumulene, which considers a chain terminated by sp2-hybridized atoms oriented at a nontrivial dihedral angle. We provide a complete analytic solution for this model. Additionally, we present a variation of the model that yields perfect helical states that trace out a circle as opposed to an ellipse. Our results provide a deeper understanding of helical states and lay a foundation for more advanced levels of theory. article_number: '124304 ' article_processing_charge: No article_type: original author: - first_name: Suman full_name: Gunasekaran, Suman last_name: Gunasekaran - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 citation: ama: Gunasekaran S, Venkataraman L. Tight-binding analysis of helical states in carbyne. The Journal of Chemical Physics. 2020;153(12). doi:10.1063/5.0021146 apa: Gunasekaran, S., & Venkataraman, L. (2020). Tight-binding analysis of helical states in carbyne. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/5.0021146 chicago: Gunasekaran, Suman, and Latha Venkataraman. “Tight-Binding Analysis of Helical States in Carbyne.” The Journal of Chemical Physics. AIP Publishing, 2020. https://doi.org/10.1063/5.0021146. ieee: S. Gunasekaran and L. Venkataraman, “Tight-binding analysis of helical states in carbyne,” The Journal of Chemical Physics, vol. 153, no. 12. AIP Publishing, 2020. ista: Gunasekaran S, Venkataraman L. 2020. Tight-binding analysis of helical states in carbyne. The Journal of Chemical Physics. 153(12), 124304. mla: Gunasekaran, Suman, and Latha Venkataraman. “Tight-Binding Analysis of Helical States in Carbyne.” The Journal of Chemical Physics, vol. 153, no. 12, 124304, AIP Publishing, 2020, doi:10.1063/5.0021146. short: S. Gunasekaran, L. Venkataraman, The Journal of Chemical Physics 153 (2020). date_created: 2024-09-09T07:17:20Z date_published: 2020-09-28T00:00:00Z date_updated: 2024-12-10T10:46:25Z day: '28' doi: 10.1063/5.0021146 extern: '1' external_id: pmid: - '33003709' intvolume: ' 153' issue: '12' language: - iso: eng month: '09' oa_version: None pmid: 1 publication: The Journal of Chemical Physics publication_identifier: eissn: - 1089-7690 issn: - 0021-9606 publication_status: published publisher: AIP Publishing quality_controlled: '1' scopus_import: '1' status: public title: Tight-binding analysis of helical states in carbyne type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 153 year: '2020' ... --- OA_place: repository OA_type: green _id: '17908' abstract: - lang: eng text: Ferrocenes are ubiquitous organometallic building blocks that comprise a Fe atom sandwiched between two cyclopentadienyl (Cp) rings that rotate freely at room temperature. Of widespread interest in fundamental studies and real-world applications, they have also attracted some interest as functional elements of molecular-scale devices. Here we investigate the impact of the configurational degrees of freedom of a ferrocene derivative on its single-molecule junction conductance. Measurements indicate that the conductance of the ferrocene derivative, which is suppressed by 2 orders of magnitude as compared to a fully conjugated analogue, can be modulated by altering the junction configuration. Ab initio transport calculations show that the low conductance is a consequence of destructive quantum interference effects of the Fano type that arise from the hybridization of localized metal-based d-orbitals and the delocalized ligand-based π-system. By rotation of the Cp rings, the hybridization, and thus the quantum interference, can be mechanically controlled, resulting in a conductance modulation that is seen experimentally. article_processing_charge: No article_type: letter_note author: - first_name: María full_name: Camarasa-Gómez, María last_name: Camarasa-Gómez - first_name: Daniel full_name: Hernangómez-Pérez, Daniel last_name: Hernangómez-Pérez - first_name: Michael S. full_name: Inkpen, Michael S. last_name: Inkpen - first_name: Giacomo full_name: Lovat, Giacomo last_name: Lovat - first_name: E-Dean full_name: Fung, E-Dean last_name: Fung - first_name: Xavier full_name: Roy, Xavier last_name: Roy - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 - first_name: Ferdinand full_name: Evers, Ferdinand last_name: Evers citation: ama: Camarasa-Gómez M, Hernangómez-Pérez D, Inkpen MS, et al. Mechanically tunable quantum interference in ferrocene-based single-molecule junctions. Nano Letters. 2020;20(9):6381-6386. doi:10.1021/acs.nanolett.0c01956 apa: Camarasa-Gómez, M., Hernangómez-Pérez, D., Inkpen, M. S., Lovat, G., Fung, E.-D., Roy, X., … Evers, F. (2020). Mechanically tunable quantum interference in ferrocene-based single-molecule junctions. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c01956 chicago: Camarasa-Gómez, María, Daniel Hernangómez-Pérez, Michael S. Inkpen, Giacomo Lovat, E-Dean Fung, Xavier Roy, Latha Venkataraman, and Ferdinand Evers. “Mechanically Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c01956. ieee: M. Camarasa-Gómez et al., “Mechanically tunable quantum interference in ferrocene-based single-molecule junctions,” Nano Letters, vol. 20, no. 9. American Chemical Society, pp. 6381–6386, 2020. ista: Camarasa-Gómez M, Hernangómez-Pérez D, Inkpen MS, Lovat G, Fung E-D, Roy X, Venkataraman L, Evers F. 2020. Mechanically tunable quantum interference in ferrocene-based single-molecule junctions. Nano Letters. 20(9), 6381–6386. mla: Camarasa-Gómez, María, et al. “Mechanically Tunable Quantum Interference in Ferrocene-Based Single-Molecule Junctions.” Nano Letters, vol. 20, no. 9, American Chemical Society, 2020, pp. 6381–86, doi:10.1021/acs.nanolett.0c01956. short: M. Camarasa-Gómez, D. Hernangómez-Pérez, M.S. Inkpen, G. Lovat, E.-D. Fung, X. Roy, L. Venkataraman, F. Evers, Nano Letters 20 (2020) 6381–6386. date_created: 2024-09-09T07:18:19Z date_published: 2020-08-03T00:00:00Z date_updated: 2024-12-10T10:49:18Z day: '03' doi: 10.1021/acs.nanolett.0c01956 extern: '1' external_id: pmid: - '32787164' intvolume: ' 20' issue: '9' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.26434/chemrxiv.12252059.v1 month: '08' oa: 1 oa_version: Preprint page: 6381-6386 pmid: 1 publication: Nano Letters publication_identifier: eissn: - 1530-6992 issn: - 1530-6984 publication_status: published publisher: American Chemical Society quality_controlled: '1' scopus_import: '1' status: public title: Mechanically tunable quantum interference in ferrocene-based single-molecule junctions type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 20 year: '2020' ...