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30 Publications
2025 | Published | Journal Article | IST-REx-ID: 19279 | 
Ionic association and Wien effect in 2D confined electrolytes
D. Toquer, L. Bocquet, P. Robin, Journal of Chemical Physics 162 (2025).
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D. Toquer, L. Bocquet, P. Robin, Journal of Chemical Physics 162 (2025).
2025 | Published | Journal Article | IST-REx-ID: 19276 |
Environment-limited transfer of angular momentum in Bose liquids
A. Cappellaro, G. Bighin, I. Cherepanov, M. Lemeshko, Journal of Chemical Physics 162 (2025).
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A. Cappellaro, G. Bighin, I. Cherepanov, M. Lemeshko, Journal of Chemical Physics 162 (2025).
2025 | Published | Journal Article | IST-REx-ID: 19595 |
How local is “local”? Deep learning reveals locality of the induced magnetic field of polycyclic aromatic hydrocarbons
Y. Davidson, A. Philipp, S. Chakraborty, A.M. Bronstein, R. Gershoni-Poranne, Journal of Chemical Physics 162 (2025).
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Y. Davidson, A. Philipp, S. Chakraborty, A.M. Bronstein, R. Gershoni-Poranne, Journal of Chemical Physics 162 (2025).
2025 | Published | Journal Article | IST-REx-ID: 19880 |
Quantum transport in the presence of a chiral molecular potential
R. Al Hyder, M. Lemeshko, A. Cappellaro, The Journal of Chemical Physics 162 (2025).
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R. Al Hyder, M. Lemeshko, A. Cappellaro, The Journal of Chemical Physics 162 (2025).
2024 | Published | Journal Article | IST-REx-ID: 15024 |
Correlation-induced viscous dissipation in concentrated electrolytes
P. Robin, Journal of Chemical Physics 160 (2024).
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P. Robin, Journal of Chemical Physics 160 (2024).
2024 | Published | Journal Article | IST-REx-ID: 17278 |
Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures
X. Wang, B. Cheng, Journal of Chemical Physics 161 (2024).
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X. Wang, B. Cheng, Journal of Chemical Physics 161 (2024).
2024 | Published | Journal Article | IST-REx-ID: 18174 |
Fingerprints of ordered self-assembled structures in the liquid phase of a hard-core, square-shoulder system
M. Wassermair, G. Kahl, R. Roth, A.J. Archer, The Journal of Chemical Physics 161 (2024).
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M. Wassermair, G. Kahl, R. Roth, A.J. Archer, The Journal of Chemical Physics 161 (2024).
2023 | Published | Journal Article | IST-REx-ID: 12705 |
Structure and elasticity of model disordered, polydisperse, and defect-free polymer networks
V. Sorichetti, A. Ninarello, J. Ruiz-Franco, V. Hugouvieux, E. Zaccarelli, C. Micheletti, W. Kob, L. Rovigatti, Journal of Chemical Physics 158 (2023).
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V. Sorichetti, A. Ninarello, J. Ruiz-Franco, V. Hugouvieux, E. Zaccarelli, C. Micheletti, W. Kob, L. Rovigatti, Journal of Chemical Physics 158 (2023).
2023 | Published | Journal Article | IST-REx-ID: 12912 |
Computing chemical potentials of adsorbed or confined fluids
R. Schmid, B. Cheng, The Journal of Chemical Physics 158 (2023).
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R. Schmid, B. Cheng, The Journal of Chemical Physics 158 (2023).
2023 | Published | Journal Article | IST-REx-ID: 14321 |
Achiral dipoles on a ferromagnet can affect its magnetization direction
R. Al Hyder, A. Cappellaro, M. Lemeshko, A. Volosniev, The Journal of Chemical Physics 159 (2023).
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R. Al Hyder, A. Cappellaro, M. Lemeshko, A. Volosniev, The Journal of Chemical Physics 159 (2023).
2023 | Published | Journal Article | IST-REx-ID: 12831 |
Variational theory of angulons and their rotational spectroscopy
Z. Zeng, E. Yakaboylu, M. Lemeshko, T. Shi, R. Schmidt, The Journal of Chemical Physics 158 (2023).
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Z. Zeng, E. Yakaboylu, M. Lemeshko, T. Shi, R. Schmidt, The Journal of Chemical Physics 158 (2023).
2023 | Published | Journal Article | IST-REx-ID: 14603 |
A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals
A. Reinhardt, P.Y. Chew, B. Cheng, Journal of Chemical Physics 159 (2023).
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A. Reinhardt, P.Y. Chew, B. Cheng, Journal of Chemical Physics 159 (2023).
2022 | Published | Journal Article | IST-REx-ID: 11400 |
Controlling cluster size in 2D phase-separating binary mixtures with specific interactions
I. Palaia, A. Šarić, The Journal of Chemical Physics 156 (2022).
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I. Palaia, A. Šarić, The Journal of Chemical Physics 156 (2022).
2022 | Published | Journal Article | IST-REx-ID: 12249 |
Computing chemical potentials of solutions from structure factors
B. Cheng, The Journal of Chemical Physics 157 (2022).
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B. Cheng, The Journal of Chemical Physics 157 (2022).
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).
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S. Gunasekaran, L. Venkataraman, The Journal of Chemical Physics 153 (2020).
2020 | Published | Journal Article | IST-REx-ID: 9658 |
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).
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B. Cheng, M. Ceriotti, G.A. Tribello, The Journal of Chemical Physics 152 (2020).
2020 | Published | Journal Article | IST-REx-ID: 8587 |
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).
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X. Li, E. Yakaboylu, G. Bighin, R. Schmidt, M. Lemeshko, A. Deuchert, The Journal of Chemical Physics 152 (2020).
2019 | Published | Journal Article | IST-REx-ID: 7422 |
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).
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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).
2018 | Published | Journal Article | IST-REx-ID: 9659 |
Communication: Computing the Tolman length for solid-liquid interfaces
B. Cheng, M. Ceriotti, The Journal of Chemical Physics 148 (2018).
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B. Cheng, M. Ceriotti, The Journal of Chemical Physics 148 (2018).
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).
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D.R. Baykusheva, H.J. Wörner, The Journal of Chemical Physics 146 (2017).