--- _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 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' ... --- OA_type: closed access _id: '17909' abstract: - lang: eng text: Atomically precise clusters can be used to create single-electron devices wherein a single redox-active cluster is connected to two macroscopic electrodes via anchoring ligands. Unlike single-electron devices comprising nanocrystals, these cluster-based devices can be fabricated with atomic precision. This affords an unprecedented level of control over the device properties. Herein, we design a series of cobalt chalcogenide clusters with varying ligand geometries and core nuclearities to control their current–voltage (I–V) characteristics in a scanning tunneling microscope-based break junction (STM-BJ) device. First, the device geometry is modified by precisely positioning junction-anchoring ligands on the surface of the cluster. We show that the I–V characteristics are independent of ligand placement, confirming a sequential, single-electron tunneling mechanism. Next, we chemically fuse two clusters to realize a larger cluster dimer that behaves as a single electronic unit, possessing a smaller reorganization energy and more accessible redox states than the monomeric analogues. As a result, dimer-based devices exhibit significantly higher currents and can even be pushed to current saturation at high bias. Owing to these controllable properties, single-cluster junctions serve as an excellent platform for exploring incoherent charge transport processes at the nanoscale. With this understanding, as well as properties such as nonlinear I–V characteristics and rectification, these molecular clusters may function as conductive inorganic nodes in new devices and materials. article_processing_charge: No article_type: original author: - first_name: Suman full_name: Gunasekaran, Suman last_name: Gunasekaran - first_name: Douglas A. full_name: Reed, Douglas A. last_name: Reed - first_name: Daniel W. full_name: Paley, Daniel W. last_name: Paley - first_name: Amymarie K. full_name: Bartholomew, Amymarie K. last_name: Bartholomew - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 - first_name: Michael L. full_name: Steigerwald, Michael L. last_name: Steigerwald - first_name: Xavier full_name: Roy, Xavier last_name: Roy - first_name: Colin full_name: Nuckolls, Colin last_name: Nuckolls citation: ama: Gunasekaran S, Reed DA, Paley DW, et al. Single-electron currents in designer single-cluster devices. Journal of the American Chemical Society. 2020;142(35):14924-14932. doi:10.1021/jacs.0c04970 apa: Gunasekaran, S., Reed, D. A., Paley, D. W., Bartholomew, A. K., Venkataraman, L., Steigerwald, M. L., … Nuckolls, C. (2020). Single-electron currents in designer single-cluster devices. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c04970 chicago: Gunasekaran, Suman, Douglas A. Reed, Daniel W. Paley, Amymarie K. Bartholomew, Latha Venkataraman, Michael L. Steigerwald, Xavier Roy, and Colin Nuckolls. “Single-Electron Currents in Designer Single-Cluster Devices.” Journal of the American Chemical Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c04970. ieee: S. Gunasekaran et al., “Single-electron currents in designer single-cluster devices,” Journal of the American Chemical Society, vol. 142, no. 35. American Chemical Society, pp. 14924–14932, 2020. ista: Gunasekaran S, Reed DA, Paley DW, Bartholomew AK, Venkataraman L, Steigerwald ML, Roy X, Nuckolls C. 2020. Single-electron currents in designer single-cluster devices. Journal of the American Chemical Society. 142(35), 14924–14932. mla: Gunasekaran, Suman, et al. “Single-Electron Currents in Designer Single-Cluster Devices.” Journal of the American Chemical Society, vol. 142, no. 35, American Chemical Society, 2020, pp. 14924–32, doi:10.1021/jacs.0c04970. short: S. Gunasekaran, D.A. Reed, D.W. Paley, A.K. Bartholomew, L. Venkataraman, M.L. Steigerwald, X. Roy, C. Nuckolls, Journal of the American Chemical Society 142 (2020) 14924–14932. date_created: 2024-09-09T07:19:56Z date_published: 2020-08-18T00:00:00Z date_updated: 2024-12-10T12:04:31Z day: '18' doi: 10.1021/jacs.0c04970 extern: '1' external_id: pmid: - '32809814' intvolume: ' 142' issue: '35' language: - iso: eng month: '08' oa_version: None page: 14924-14932 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: Single-electron currents in designer single-cluster devices type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 142 year: '2020' ... --- _id: '17910' abstract: - lang: eng text: The scanning tunneling microscope-based break junction (STM-BJ) is used widely to create and characterize single metal-molecule-metal junctions. In this technique, conductance is continuously recorded as a metal point contact is broken in a solution of molecules. Conductance plateaus are seen when stable molecular junctions are formed. Typically, thousands of junctions are created and measured, yielding thousands of distinct conductance versus extension traces. However, such traces are rarely analyzed individually to recognize the types of junctions formed. Here, we present a deep learning-based method to identify molecular junctions and show that it performs better than several commonly used and recently reported techniques. We demonstrate molecular junction identification from mixed solution measurements with accuracies as high as 97%. We also apply this model to an in situ electric field-driven isomerization reaction of a [3]cumulene to follow the reaction over time. Furthermore, we demonstrate that our model can remain accurate even when a key parameter, the average junction conductance, is eliminated from the analysis, showing that our model goes beyond conventional analysis in existing methods. article_processing_charge: No article_type: letter_note author: - first_name: Tianren full_name: Fu, Tianren last_name: Fu - first_name: Yaping full_name: Zang, Yaping last_name: Zang - first_name: Qi full_name: Zou, Qi last_name: Zou - 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: Fu T, Zang Y, Zou Q, Nuckolls C, Venkataraman L. Using deep learning to identify molecular junction characteristics. Nano Letters. 2020;20(5):3320-3325. doi:10.1021/acs.nanolett.0c00198 apa: Fu, T., Zang, Y., Zou, Q., Nuckolls, C., & Venkataraman, L. (2020). Using deep learning to identify molecular junction characteristics. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c00198 chicago: Fu, Tianren, Yaping Zang, Qi Zou, Colin Nuckolls, and Latha Venkataraman. “Using Deep Learning to Identify Molecular Junction Characteristics.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c00198. ieee: T. Fu, Y. Zang, Q. Zou, C. Nuckolls, and L. Venkataraman, “Using deep learning to identify molecular junction characteristics,” Nano Letters, vol. 20, no. 5. American Chemical Society, pp. 3320–3325, 2020. ista: Fu T, Zang Y, Zou Q, Nuckolls C, Venkataraman L. 2020. Using deep learning to identify molecular junction characteristics. Nano Letters. 20(5), 3320–3325. mla: Fu, Tianren, et al. “Using Deep Learning to Identify Molecular Junction Characteristics.” Nano Letters, vol. 20, no. 5, American Chemical Society, 2020, pp. 3320–25, doi:10.1021/acs.nanolett.0c00198. short: T. Fu, Y. Zang, Q. Zou, C. Nuckolls, L. Venkataraman, Nano Letters 20 (2020) 3320–3325. date_created: 2024-09-09T07:20:52Z date_published: 2020-04-03T00:00:00Z date_updated: 2024-12-10T12:08:53Z day: '03' doi: 10.1021/acs.nanolett.0c00198 extern: '1' external_id: pmid: - '32242671' intvolume: ' 20' issue: '5' language: - iso: eng month: '04' oa_version: None page: 3320-3325 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: Using deep learning to identify molecular junction characteristics type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 20 year: '2020' ... --- OA_place: publisher OA_type: hybrid _id: '17911' abstract: - lang: eng text: Single-molecule break junction measurements deliver a huge number of conductance vs. electrode separation traces. During such measurements, the target molecules may bind to the electrodes in different geometries, and the evolution and rupture of the single-molecule junction may also follow distinct trajectories. The unraveling of the various typical trace classes is a prerequisite to the proper physical interpretation of the data. Here we exploit the efficient feature recognition properties of neural networks to automatically find the relevant trace classes. To eliminate the need for manually labeled training data we apply a combined method, which automatically selects training traces according to the extreme values of principal component projections or some auxiliary measured quantities. Then the network captures the features of these characteristic traces and generalizes its inference to the entire dataset. The use of a simple neural network structure also enables a direct insight into the decision-making mechanism. We demonstrate that this combined machine learning method is efficient in the unsupervised recognition of unobvious, but highly relevant trace classes within low and room temperature gold–4,4′ bipyridine–gold single-molecule break junction data. article_processing_charge: Yes article_type: original arxiv: 1 author: - first_name: András full_name: Magyarkuti, András last_name: Magyarkuti - first_name: Nóra full_name: Balogh, Nóra last_name: Balogh - first_name: Zoltán full_name: Balogh, Zoltán last_name: Balogh - first_name: Latha full_name: Venkataraman, Latha id: 9ebb78a5-cc0d-11ee-8322-fae086a32caf last_name: Venkataraman orcid: 0000-0002-6957-6089 - first_name: András full_name: Halbritter, András last_name: Halbritter citation: ama: Magyarkuti A, Balogh N, Balogh Z, Venkataraman L, Halbritter A. Unsupervised feature recognition in single-molecule break junction data. Nanoscale. 2020;12(15):8355-8363. doi:10.1039/d0nr00467g apa: Magyarkuti, A., Balogh, N., Balogh, Z., Venkataraman, L., & Halbritter, A. (2020). Unsupervised feature recognition in single-molecule break junction data. Nanoscale. Royal Society of Chemistry. https://doi.org/10.1039/d0nr00467g chicago: Magyarkuti, András, Nóra Balogh, Zoltán Balogh, Latha Venkataraman, and András Halbritter. “Unsupervised Feature Recognition in Single-Molecule Break Junction Data.” Nanoscale. Royal Society of Chemistry, 2020. https://doi.org/10.1039/d0nr00467g. ieee: A. Magyarkuti, N. Balogh, Z. Balogh, L. Venkataraman, and A. Halbritter, “Unsupervised feature recognition in single-molecule break junction data,” Nanoscale, vol. 12, no. 15. Royal Society of Chemistry, pp. 8355–8363, 2020. ista: Magyarkuti A, Balogh N, Balogh Z, Venkataraman L, Halbritter A. 2020. Unsupervised feature recognition in single-molecule break junction data. Nanoscale. 12(15), 8355–8363. mla: Magyarkuti, András, et al. “Unsupervised Feature Recognition in Single-Molecule Break Junction Data.” Nanoscale, vol. 12, no. 15, Royal Society of Chemistry, 2020, pp. 8355–63, doi:10.1039/d0nr00467g. short: A. Magyarkuti, N. Balogh, Z. Balogh, L. Venkataraman, A. Halbritter, Nanoscale 12 (2020) 8355–8363. date_created: 2024-09-09T07:21:34Z date_published: 2020-03-25T00:00:00Z date_updated: 2024-12-10T12:13:16Z day: '25' doi: 10.1039/d0nr00467g extern: '1' external_id: arxiv: - '2001.03006' intvolume: ' 12' issue: '15' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1039/D0NR00467G month: '03' oa: 1 oa_version: Published Version page: 8355-8363 publication: Nanoscale publication_identifier: eissn: - 2040-3372 issn: - 2040-3364 publication_status: published publisher: Royal Society of Chemistry quality_controlled: '1' scopus_import: '1' status: public title: Unsupervised feature recognition in single-molecule break junction data 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: 12 year: '2020' ... --- OA_type: closed access _id: '17912' abstract: - lang: eng text: Aryl halides are ubiquitous functional groups in organic chemistry, yet despite their obvious appeal as surface-binding linkers and as precursors for controlled graphene nanoribbon synthesis, they have seldom been used as such in molecular electronics. The confusion regarding the bonding of aryl iodides to Au electrodes is a case in point, with ambiguous reports of both dative Au–I and covalent Au–C contacts. Here we form single-molecule junctions with a series of oligophenylene molecular wires terminated asymmetrically with iodine and thiomethyl to show that the dative Au–I contact has a lower conductance than the covalent Au–C interaction, which we propose occurs via an in situ oxidative addition reaction at the Au surface. Furthermore, we confirm the formation of the Au–C bond by measuring an analogous series of molecules prepared ex situ with the complex AuI(PPh3) in place of the iodide. Density functional theory-based transport calculations support our experimental observations that Au–C linkages have higher conductance than Au–I linkages. Finally, we demonstrate selective promotion of the Au–C bond formation by controlling the bias applied across the junction. In addition to establishing the different binding modes of aryl iodides, our results chart a path to actively controlling oxidative addition on an Au surface using an applied bias. article_processing_charge: No article_type: original author: - first_name: Rachel L. full_name: Starr, Rachel L. last_name: Starr - first_name: Tianren full_name: Fu, Tianren last_name: Fu - first_name: Evan A. full_name: Doud, Evan A. last_name: Doud - first_name: Ilana full_name: Stone, Ilana last_name: Stone - 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 citation: ama: Starr RL, Fu T, Doud EA, Stone I, Roy X, Venkataraman L. Gold–carbon contacts from oxidative addition of aryl iodides. Journal of the American Chemical Society. 2020;142(15):7128-7133. doi:10.1021/jacs.0c01466 apa: Starr, R. L., Fu, T., Doud, E. A., Stone, I., Roy, X., & Venkataraman, L. (2020). Gold–carbon contacts from oxidative addition of aryl iodides. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.0c01466 chicago: Starr, Rachel L., Tianren Fu, Evan A. Doud, Ilana Stone, Xavier Roy, and Latha Venkataraman. “Gold–Carbon Contacts from Oxidative Addition of Aryl Iodides.” Journal of the American Chemical Society. American Chemical Society, 2020. https://doi.org/10.1021/jacs.0c01466. ieee: R. L. Starr, T. Fu, E. A. Doud, I. Stone, X. Roy, and L. Venkataraman, “Gold–carbon contacts from oxidative addition of aryl iodides,” Journal of the American Chemical Society, vol. 142, no. 15. American Chemical Society, pp. 7128–7133, 2020. ista: Starr RL, Fu T, Doud EA, Stone I, Roy X, Venkataraman L. 2020. Gold–carbon contacts from oxidative addition of aryl iodides. Journal of the American Chemical Society. 142(15), 7128–7133. mla: Starr, Rachel L., et al. “Gold–Carbon Contacts from Oxidative Addition of Aryl Iodides.” Journal of the American Chemical Society, vol. 142, no. 15, American Chemical Society, 2020, pp. 7128–33, doi:10.1021/jacs.0c01466. short: R.L. Starr, T. Fu, E.A. Doud, I. Stone, X. Roy, L. Venkataraman, Journal of the American Chemical Society 142 (2020) 7128–7133. date_created: 2024-09-09T07:22:26Z date_published: 2020-03-26T00:00:00Z date_updated: 2024-12-10T12:20:47Z day: '26' doi: 10.1021/jacs.0c01466 extern: '1' external_id: pmid: - '32212683' intvolume: ' 142' issue: '15' language: - iso: eng month: '03' oa_version: None page: 7128-7133 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: Gold–carbon contacts from oxidative addition of aryl iodides type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 142 year: '2020' ... --- OA_type: closed access _id: '17913' abstract: - lang: eng text: Electron transport across a molecular junction is characterized by an energy-dependent transmission function. The transmission function accounts for electrons tunneling through multiple molecular orbitals (MOs) with different phases, which gives rise to quantum interference (QI) effects. Because the transmission function comprises both interfering and noninterfering effects, individual interferences between MOs cannot be deduced from the transmission function directly. Herein, we demonstrate how the transmission function can be deconstructed into its constituent interfering and noninterfering contributions for any model molecular junction. These contributions are arranged in a matrix and displayed pictorially as a QI map, which allows one to easily identify individual QI effects. Importantly, we show that exponential conductance decay with increasing oligomer length is primarily due to an increase in destructive QI. With an ability to “see” QI effects using the QI map, we find that QI is vital to all molecular-scale electron transport. article_processing_charge: No article_type: letter_note author: - first_name: Suman full_name: Gunasekaran, Suman last_name: Gunasekaran - first_name: Julia E. full_name: Greenwald, Julia E. last_name: Greenwald - 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, Greenwald JE, Venkataraman L. Visualizing quantum interference in molecular junctions. Nano Letters. 2020;20(4):2843-2848. doi:10.1021/acs.nanolett.0c00605 apa: Gunasekaran, S., Greenwald, J. E., & Venkataraman, L. (2020). Visualizing quantum interference in molecular junctions. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c00605 chicago: Gunasekaran, Suman, Julia E. Greenwald, and Latha Venkataraman. “Visualizing Quantum Interference in Molecular Junctions.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c00605. ieee: S. Gunasekaran, J. E. Greenwald, and L. Venkataraman, “Visualizing quantum interference in molecular junctions,” Nano Letters, vol. 20, no. 4. American Chemical Society, pp. 2843–2848, 2020. ista: Gunasekaran S, Greenwald JE, Venkataraman L. 2020. Visualizing quantum interference in molecular junctions. Nano Letters. 20(4), 2843–2848. mla: Gunasekaran, Suman, et al. “Visualizing Quantum Interference in Molecular Junctions.” Nano Letters, vol. 20, no. 4, American Chemical Society, 2020, pp. 2843–48, doi:10.1021/acs.nanolett.0c00605. short: S. Gunasekaran, J.E. Greenwald, L. Venkataraman, Nano Letters 20 (2020) 2843–2848. date_created: 2024-09-09T07:36:41Z date_published: 2020-03-06T00:00:00Z date_updated: 2024-12-10T12:24:13Z day: '06' doi: 10.1021/acs.nanolett.0c00605 extern: '1' external_id: pmid: - '32142291' intvolume: ' 20' issue: '4' language: - iso: eng month: '03' oa_version: None page: 2843-2848 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: Visualizing quantum interference in molecular junctions type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 20 year: '2020' ... --- OA_type: closed access _id: '17914' abstract: - lang: eng text: Polyacetylene molecular wires have attracted a long-standing interest for the past 40 years. From a fundamental perspective, there are two main reasons for the interest. First, polyacetylenes are a prime realization of a one-dimensional topological insulator. Second, long molecules support freely propagating topological domain-wall states, so-called “solitons,” which provide an early paradigm for spin-charge separation. Because of recent experimental developments, individual polyacetylene chains can now be synthesized on substrates. Motivated by this breakthrough, we here propose a novel way for chemically supported soliton design in these systems. We demonstrate how to control the soliton position and how to read it out via external means. Also, we show how extra soliton–antisoliton pairs arise when applying a moderate static electric field. We thus make a step toward functionality of electronic devices based on soliton manipulation, that is, “solitonics”. article_processing_charge: No article_type: letter_note author: - first_name: Daniel full_name: Hernangómez-Pérez, Daniel last_name: Hernangómez-Pérez - 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 - first_name: Ferdinand full_name: Evers, Ferdinand last_name: Evers citation: ama: Hernangómez-Pérez D, Gunasekaran S, Venkataraman L, Evers F. Solitonics with polyacetylenes. Nano Letters. 2020;20(4):2615-2619. doi:10.1021/acs.nanolett.0c00136 apa: Hernangómez-Pérez, D., Gunasekaran, S., Venkataraman, L., & Evers, F. (2020). Solitonics with polyacetylenes. Nano Letters. American Chemical Society. https://doi.org/10.1021/acs.nanolett.0c00136 chicago: Hernangómez-Pérez, Daniel, Suman Gunasekaran, Latha Venkataraman, and Ferdinand Evers. “Solitonics with Polyacetylenes.” Nano Letters. American Chemical Society, 2020. https://doi.org/10.1021/acs.nanolett.0c00136. ieee: D. Hernangómez-Pérez, S. Gunasekaran, L. Venkataraman, and F. Evers, “Solitonics with polyacetylenes,” Nano Letters, vol. 20, no. 4. American Chemical Society, pp. 2615–2619, 2020. ista: Hernangómez-Pérez D, Gunasekaran S, Venkataraman L, Evers F. 2020. Solitonics with polyacetylenes. Nano Letters. 20(4), 2615–2619. mla: Hernangómez-Pérez, Daniel, et al. “Solitonics with Polyacetylenes.” Nano Letters, vol. 20, no. 4, American Chemical Society, 2020, pp. 2615–19, doi:10.1021/acs.nanolett.0c00136. short: D. Hernangómez-Pérez, S. Gunasekaran, L. Venkataraman, F. Evers, Nano Letters 20 (2020) 2615–2619. date_created: 2024-09-09T07:38:36Z date_published: 2020-03-03T00:00:00Z date_updated: 2024-12-10T12:26:43Z day: '03' doi: 10.1021/acs.nanolett.0c00136 extern: '1' external_id: pmid: - '32125870' intvolume: ' 20' issue: '4' language: - iso: eng month: '03' oa_version: None page: 2615-2619 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: Solitonics with polyacetylenes type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 20 year: '2020' ... --- _id: '18194' abstract: - lang: eng text: 'Realizing strongly correlated topological phases of ultracold gases is a central goal for ongoing experiments. While fractional quantum Hall states could soon be implemented in small atomic ensembles, detecting their signatures in few-particle settings remains a fundamental challenge. In this work, we numerically analyze the center-of-mass Hall drift of a small ensemble of hardcore bosons, initially prepared in the ground state of the Harper-Hofstadter-Hubbard model in a box potential. By monitoring the Hall drift upon release, for a wide range of magnetic flux values, we identify an emergent Hall plateau compatible with a fractional Chern insulator state: The extracted Hall conductivity approaches a fractional value determined by the many-body Chern number, while the width of the plateau agrees with the spectral and topological properties of the prepared ground state. Besides, a direct application of Streda''s formula indicates that such Hall plateaus can also be directly obtained from static density-profile measurements. Our calculations suggest that fractional Chern insulators can be detected in cold-atom experiments, using available detection methods.' article_number: '063316' article_processing_charge: Yes (in subscription journal) article_type: original arxiv: 1 author: - first_name: C. full_name: Repellin, C. last_name: Repellin - first_name: Julian full_name: Leonard, Julian id: b75b3f45-7995-11ef-9bfd-9a9cd02c3577 last_name: Leonard - first_name: N. full_name: Goldman, N. last_name: Goldman citation: ama: 'Repellin C, Leonard J, Goldman N. Fractional Chern insulators of few bosons in a box: Hall plateaus from center-of-mass drifts and density profiles. Physical Review A. 2020;102(6). doi:10.1103/physreva.102.063316' apa: 'Repellin, C., Leonard, J., & Goldman, N. (2020). Fractional Chern insulators of few bosons in a box: Hall plateaus from center-of-mass drifts and density profiles. Physical Review A. American Physical Society. https://doi.org/10.1103/physreva.102.063316' chicago: 'Repellin, C., Julian Leonard, and N. Goldman. “Fractional Chern Insulators of Few Bosons in a Box: Hall Plateaus from Center-of-Mass Drifts and Density Profiles.” Physical Review A. American Physical Society, 2020. https://doi.org/10.1103/physreva.102.063316.' ieee: 'C. Repellin, J. Leonard, and N. Goldman, “Fractional Chern insulators of few bosons in a box: Hall plateaus from center-of-mass drifts and density profiles,” Physical Review A, vol. 102, no. 6. American Physical Society, 2020.' ista: 'Repellin C, Leonard J, Goldman N. 2020. Fractional Chern insulators of few bosons in a box: Hall plateaus from center-of-mass drifts and density profiles. Physical Review A. 102(6), 063316.' mla: 'Repellin, C., et al. “Fractional Chern Insulators of Few Bosons in a Box: Hall Plateaus from Center-of-Mass Drifts and Density Profiles.” Physical Review A, vol. 102, no. 6, 063316, American Physical Society, 2020, doi:10.1103/physreva.102.063316.' short: C. Repellin, J. Leonard, N. Goldman, Physical Review A 102 (2020). date_created: 2024-10-07T11:48:07Z date_published: 2020-12-14T00:00:00Z date_updated: 2024-10-08T09:51:57Z day: '14' ddc: - '530' doi: 10.1103/physreva.102.063316 extern: '1' external_id: arxiv: - '2005.09689' has_accepted_license: '1' intvolume: ' 102' issue: '6' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.1103/PhysRevA.102.063316 month: '12' oa: 1 oa_version: Published Version publication: Physical Review A publication_identifier: eissn: - 2469-9934 issn: - 2469-9926 publication_status: published publisher: American Physical Society quality_controlled: '1' scopus_import: '1' status: public title: 'Fractional Chern insulators of few bosons in a box: Hall plateaus from center-of-mass drifts and density profiles' 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: 102 year: '2020' ... --- OA_place: repository OA_type: green _id: '18228' abstract: - lang: eng text: We introduce two constructions in geometric deep learning for 1) transporting orientation-dependent convolutional filters over a manifold in a continuous way and thereby defining a convolution operator that naturally incorporates the rotational effect of holonomy; and 2) allowing efficient evaluation of manifold convolution layers by sampling manifold valued random variables that center around a weighted diffusion mean. Both methods are inspired by stochastics on manifolds and geometric statistics, and provide examples of how stochastic methods – here horizontal frame bundle flows and non-linear bridge sampling schemes, can be used in geometric deep learning. We outline the theoretical foundation of the two methods, discuss their relation to Euclidean deep networks and existing methodology in geometric deep learning, and establish important properties of the proposed constructions. article_processing_charge: No article_type: original arxiv: 1 author: - first_name: Stefan full_name: Sommer, Stefan last_name: Sommer - first_name: Alexander full_name: Bronstein, Alexander id: 58f3726e-7cba-11ef-ad8b-e6e8cb3904e6 last_name: Bronstein orcid: 0000-0001-9699-8730 citation: ama: Sommer S, Bronstein AM. Horizontal flows and manifold stochastics in geometric deep learning. IEEE Transactions on Pattern Analysis and Machine Intelligence. 2020;44(2):811-822. doi:10.1109/tpami.2020.2994507 apa: Sommer, S., & Bronstein, A. M. (2020). Horizontal flows and manifold stochastics in geometric deep learning. IEEE Transactions on Pattern Analysis and Machine Intelligence. Institute of Electrical and Electronics Engineers. https://doi.org/10.1109/tpami.2020.2994507 chicago: Sommer, Stefan, and Alex M. Bronstein. “Horizontal Flows and Manifold Stochastics in Geometric Deep Learning.” IEEE Transactions on Pattern Analysis and Machine Intelligence. Institute of Electrical and Electronics Engineers, 2020. https://doi.org/10.1109/tpami.2020.2994507. ieee: S. Sommer and A. M. Bronstein, “Horizontal flows and manifold stochastics in geometric deep learning,” IEEE Transactions on Pattern Analysis and Machine Intelligence, vol. 44, no. 2. Institute of Electrical and Electronics Engineers, pp. 811–822, 2020. ista: Sommer S, Bronstein AM. 2020. Horizontal flows and manifold stochastics in geometric deep learning. IEEE Transactions on Pattern Analysis and Machine Intelligence. 44(2), 811–822. mla: Sommer, Stefan, and Alex M. Bronstein. “Horizontal Flows and Manifold Stochastics in Geometric Deep Learning.” IEEE Transactions on Pattern Analysis and Machine Intelligence, vol. 44, no. 2, Institute of Electrical and Electronics Engineers, 2020, pp. 811–22, doi:10.1109/tpami.2020.2994507. short: S. Sommer, A.M. Bronstein, IEEE Transactions on Pattern Analysis and Machine Intelligence 44 (2020) 811–822. date_created: 2024-10-08T12:55:23Z date_published: 2020-02-01T00:00:00Z date_updated: 2024-10-15T06:56:47Z day: '01' doi: 10.1109/tpami.2020.2994507 extern: '1' external_id: arxiv: - '1909.06397' intvolume: ' 44' issue: '2' language: - iso: eng main_file_link: - open_access: '1' url: https://doi.org/10.48550/arXiv.1909.06397 month: '02' oa: 1 oa_version: Preprint page: 811-822 publication: IEEE Transactions on Pattern Analysis and Machine Intelligence publication_identifier: eissn: - 1939-3539 issn: - 0162-8828 publication_status: published publisher: Institute of Electrical and Electronics Engineers quality_controlled: '1' scopus_import: '1' status: public title: Horizontal flows and manifold stochastics in geometric deep learning type: journal_article user_id: 2DF688A6-F248-11E8-B48F-1D18A9856A87 volume: 44 year: '2020' ...