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36 Publications


2020 | Published | Journal Article | IST-REx-ID: 8587 | OA
Intermolecular forces and correlations mediated by a phonon bath
X. Li, E. Yakaboylu, G. Bighin, R. Schmidt, M. Lemeshko, A. Deuchert, The Journal of Chemical Physics 152 (2020).
[Preprint] View | Files available | DOI | Download Preprint (ext.) | WoS | PubMed | Europe PMC | arXiv
 

2020 | Published | Journal Article | IST-REx-ID: 9658 | OA
Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification
B. Cheng, M. Ceriotti, G.A. Tribello, The Journal of Chemical Physics 152 (2020).
[Submitted Version] View | DOI | Download Submitted Version (ext.) | PubMed | Europe PMC | arXiv
 

2020 | Published | Journal Article | IST-REx-ID: 17907
Tight-binding analysis of helical states in carbyne
S. Gunasekaran, L. Venkataraman, The Journal of Chemical Physics 153 (2020).
View | DOI | PubMed | Europe PMC
 

2019 | Published | Journal Article | IST-REx-ID: 7422 | OA
eGFRD in all dimensions
T.R. Sokolowski, J. Paijmans, L. Bossen, T. Miedema, M. Wehrens, N.B. Becker, K. Kaizu, K. Takahashi, M. Dogterom, P.R. ten Wolde, The Journal of Chemical Physics 150 (2019).
[Preprint] View | DOI | Download Preprint (ext.) | WoS | arXiv
 

2018 | Published | Journal Article | IST-REx-ID: 9659 | OA
Communication: Computing the Tolman length for solid-liquid interfaces
B. Cheng, M. Ceriotti, The Journal of Chemical Physics 148 (2018).
[Submitted Version] View | DOI | Download Submitted Version (ext.) | PubMed | Europe PMC | arXiv
 

2017 | Published | Journal Article | IST-REx-ID: 14006
Theory of attosecond delays in molecular photoionization
D.R. Baykusheva, H.J. Wörner, The Journal of Chemical Physics 146 (2017).
View | DOI | PubMed | Europe PMC
 

2017 | Published | Journal Article | IST-REx-ID: 9660 | OA
The Gibbs free energy of homogeneous nucleation: From atomistic nuclei to the planar limit
B. Cheng, G.A. Tribello, M. Ceriotti, The Journal of Chemical Physics 147 (2017).
[Submitted Version] View | DOI | Download Submitted Version (ext.) | PubMed | Europe PMC | arXiv
 

2017 | Published | Journal Article | IST-REx-ID: 9661 | OA
Bridging the gap between atomistic and macroscopic models of homogeneous nucleation
B. Cheng, M. Ceriotti, The Journal of Chemical Physics 146 (2017).
[Preprint] View | DOI | Download Preprint (ext.) | PubMed | Europe PMC | arXiv
 

2017 | Published | Journal Article | IST-REx-ID: 17944
Preface: Special topic on Frontiers in Molecular Scale Electronics
F. Evers, L. Venkataraman, The Journal of Chemical Physics 146 (2017).
View | DOI
 

2017 | Published | Journal Article | IST-REx-ID: 17945
Temperature dependent tunneling conductance of single molecule junctions
M. Kamenetska, J.R. Widawsky, M. Dell’Angela, M. Frei, L. Venkataraman, The Journal of Chemical Physics 146 (2017).
View | DOI
 

2016 | Published | Journal Article | IST-REx-ID: 10376 | OA
Kinetics of spontaneous filament nucleation via oligomers: Insights from theory and simulation
A. Šarić, T.C.T. Michaels, A. Zaccone, T.P.J. Knowles, D. Frenkel, The Journal of Chemical Physics 145 (2016).
[Preprint] View | DOI | Download Preprint (ext.) | PubMed | Europe PMC | arXiv
 

2016 | Published | Journal Article | IST-REx-ID: 10380 | OA
Non-equilibrium simulations of thermally induced electric fields in water
P. Wirnsberger, D. Fijan, A. Šarić, M. Neumann, C. Dellago, D. Frenkel, The Journal of Chemical Physics 144 (2016).
[Preprint] View | DOI | Download Preprint (ext.) | PubMed | Europe PMC | arXiv
 

2014 | Published | Journal Article | IST-REx-ID: 14019
The cyclopropene radical cation: Rovibrational level structure at low energies from high-resolution photoelectron spectra
K. Vasilatou, J.M. Michaud, D.R. Baykusheva, G. Grassi, F. Merkt, The Journal of Chemical Physics 141 (2014).
View | DOI | PubMed | Europe PMC
 

2014 | Published | Journal Article | IST-REx-ID: 9662 | OA
Direct path integral estimators for isotope fractionation ratios
B. Cheng, M. Ceriotti, The Journal of Chemical Physics 141 (2014).
[Preprint] View | DOI | Download Preprint (ext.) | PubMed | Europe PMC | arXiv
 

2013 | Published | Journal Article | IST-REx-ID: 9663 | OA
Thermally induced solid-solid structural transition of copper nanoparticles through direct geometrical conversion
B. Cheng, A.H.W. Ngan, The Journal of Chemical Physics 138 (2013).
[Submitted Version] View | DOI | Download Submitted Version (ext.) | PubMed | Europe PMC
 

2013 | Published | Journal Article | IST-REx-ID: 17991 | OA
Transport properties of individual C60-molecules
G. Géranton, C. Seiler, A. Bagrets, L. Venkataraman, F. Evers, The Journal of Chemical Physics 139 (2013).
[Preprint] View | DOI | Download Preprint (ext.) | arXiv
 

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