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30 Publications


2025 | Published | Journal Article | IST-REx-ID: 19279 | OA
Toquer D, Bocquet L, Robin P. 2025. Ionic association and Wien effect in 2D confined electrolytes. Journal of Chemical Physics. 162(6), 064703.
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2025 | Published | Journal Article | IST-REx-ID: 19276 | OA
Cappellaro A, Bighin G, Cherepanov I, Lemeshko M. 2025. Environment-limited transfer of angular momentum in Bose liquids. Journal of Chemical Physics. 162(7), 074104.
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2025 | Published | Journal Article | IST-REx-ID: 19595 | OA
Davidson Y, Philipp A, Chakraborty S, Bronstein AM, Gershoni-Poranne R. 2025. How local is “local”? Deep learning reveals locality of the induced magnetic field of polycyclic aromatic hydrocarbons. Journal of Chemical Physics. 162(14), 144101.
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2025 | Published | Journal Article | IST-REx-ID: 19880 | OA
Al Hyder R, Lemeshko M, Cappellaro A. 2025. Quantum transport in the presence of a chiral molecular potential. The Journal of Chemical Physics. 162(23), 234106.
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2024 | Published | Journal Article | IST-REx-ID: 15024 | OA
Robin P. 2024. Correlation-induced viscous dissipation in concentrated electrolytes. Journal of Chemical Physics. 160(6), 064503.
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2024 | Published | Journal Article | IST-REx-ID: 17278 | OA
Wang X, Cheng B. 2024. Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures. Journal of Chemical Physics. 161(3), 034111.
[Preprint] View | Files available | DOI | Download Preprint (ext.) | WoS | PubMed | Europe PMC | arXiv
 

2024 | Published | Journal Article | IST-REx-ID: 18174 | OA
Wassermair M, Kahl G, Roth R, Archer AJ. 2024. Fingerprints of ordered self-assembled structures in the liquid phase of a hard-core, square-shoulder system. The Journal of chemical physics. 161(12), 124503.
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2023 | Published | Journal Article | IST-REx-ID: 12705 | OA
Sorichetti V, Ninarello A, Ruiz-Franco J, Hugouvieux V, Zaccarelli E, Micheletti C, Kob W, Rovigatti L. 2023. Structure and elasticity of model disordered, polydisperse, and defect-free polymer networks. Journal of Chemical Physics. 158(7), 074905.
[Preprint] View | DOI | Download Preprint (ext.) | WoS | PubMed | Europe PMC | arXiv
 

2023 | Published | Journal Article | IST-REx-ID: 12912 | OA
Schmid R, Cheng B. 2023. Computing chemical potentials of adsorbed or confined fluids. The Journal of Chemical Physics. 158(16), 161101.
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2023 | Published | Journal Article | IST-REx-ID: 12831 | OA
Zeng Z, Yakaboylu E, Lemeshko M, Shi T, Schmidt R. 2023. Variational theory of angulons and their rotational spectroscopy. The Journal of Chemical Physics. 158(13), 134301.
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2023 | Published | Journal Article | IST-REx-ID: 14321 | OA
Al Hyder R, Cappellaro A, Lemeshko M, Volosniev A. 2023. Achiral dipoles on a ferromagnet can affect its magnetization direction. The Journal of Chemical Physics. 159(10), 104103.
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2023 | Published | Journal Article | IST-REx-ID: 14603 | OA
Reinhardt A, Chew PY, Cheng B. 2023. A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals. Journal of Chemical Physics. 159(18), 184110.
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2022 | Published | Journal Article | IST-REx-ID: 11400 | OA
Palaia I, Šarić A. 2022. Controlling cluster size in 2D phase-separating binary mixtures with specific interactions. The Journal of Chemical Physics. 156(19), 194902.
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2022 | Published | Journal Article | IST-REx-ID: 12249 | OA
Cheng B. 2022. Computing chemical potentials of solutions from structure factors. The Journal of Chemical Physics. 157(12), 121101.
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2020 | Published | Journal Article | IST-REx-ID: 17907
Gunasekaran S, Venkataraman L. 2020. Tight-binding analysis of helical states in carbyne. The Journal of Chemical Physics. 153(12), 124304.
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2020 | Published | Journal Article | IST-REx-ID: 9658 | OA
Cheng B, Ceriotti M, Tribello GA. 2020. Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification. The Journal of Chemical Physics. 152(4), 044103.
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2020 | Published | Journal Article | IST-REx-ID: 8587 | OA
Li X, Yakaboylu E, Bighin G, Schmidt R, Lemeshko M, Deuchert A. 2020. Intermolecular forces and correlations mediated by a phonon bath. The Journal of Chemical Physics. 152(16), 164302.
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2019 | Published | Journal Article | IST-REx-ID: 7422 | OA
Sokolowski TR, Paijmans J, Bossen L, Miedema T, Wehrens M, Becker NB, Kaizu K, Takahashi K, Dogterom M, ten Wolde PR. 2019. eGFRD in all dimensions. The Journal of Chemical Physics. 150(5), 054108.
[Preprint] View | DOI | Download Preprint (ext.) | WoS | arXiv
 

2018 | Published | Journal Article | IST-REx-ID: 9659 | OA
Cheng B, Ceriotti M. 2018. Communication: Computing the Tolman length for solid-liquid interfaces. The Journal of Chemical Physics. 148(23), 231102.
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2017 | Published | Journal Article | IST-REx-ID: 14006
Baykusheva DR, Wörner HJ. 2017. Theory of attosecond delays in molecular photoionization. The Journal of Chemical Physics. 146(12), 124306.
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