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31 Publications

2026 | Published | Journal Article | IST-REx-ID: 21408 |

Hübl M, Goodrich CP. Simultaneous optimization of assembly time and yield in programmable self-assembly. Journal of Chemical Physics. 2026;164(8). doi:10.1063/5.0304731

[Published Version] View | Files available | DOI | arXiv

Coquinot B, Lizée M, Bocquet L, Kavokine N. Electron–electrolyte coupling in AC transport through nanofluidic channels. The Journal of Chemical Physics. 2026;164(13). doi:10.1063/5.0313352

[Published Version] View | Files available | DOI | arXiv

2026 | Published | Journal Article | IST-REx-ID: 21381 |

Kim D, Cheng B. Long-range electrostatics for machine learning interatomic potentials is easier than we thought. The Journal of Chemical Physics. 2026;164(6). doi:10.1063/5.0316886

[Preprint] View | DOI | Download Preprint (ext.) | arXiv

Cappellaro A, Bighin G, Cherepanov I, Lemeshko M. Environment-limited transfer of angular momentum in Bose liquids. Journal of Chemical Physics. 2025;162(7). doi:10.1063/5.0253451

2025 | Published | Journal Article | IST-REx-ID: 19279 |

Toquer D, Bocquet L, Robin P. Ionic association and Wien effect in 2D confined electrolytes. Journal of Chemical Physics. 2025;162(6). doi:10.1063/5.0241949

2025 | Published | Journal Article | IST-REx-ID: 19880 |

Al Hyder R, Lemeshko M, Cappellaro A. Quantum transport in the presence of a chiral molecular potential. The Journal of Chemical Physics. 2025;162(23). doi:10.1063/5.0271155

2025 | Published | Journal Article | IST-REx-ID: 19595 |

Davidson Y, Philipp A, Chakraborty S, Bronstein AM, Gershoni-Poranne R. How local is “local”? Deep learning reveals locality of the induced magnetic field of polycyclic aromatic hydrocarbons. Journal of Chemical Physics. 2025;162(14). doi:10.1063/5.0257558

2024 | Published | Journal Article | IST-REx-ID: 15024 |

Robin P. Correlation-induced viscous dissipation in concentrated electrolytes. Journal of Chemical Physics. 2024;160(6). doi:10.1063/5.0188215

2024 | Published | Journal Article | IST-REx-ID: 17278 |

Wang X, Cheng B. Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures. Journal of Chemical Physics. 2024;161(3). doi:10.1063/5.0217232

2023 | Published | Journal Article | IST-REx-ID: 12705 |

Sorichetti V, Ninarello A, Ruiz-Franco J, et al. Structure and elasticity of model disordered, polydisperse, and defect-free polymer networks. Journal of Chemical Physics. 2023;158(7). doi:10.1063/5.0134271

2023 | Published | Journal Article | IST-REx-ID: 14321 |

Al Hyder R, Cappellaro A, Lemeshko M, Volosniev A. Achiral dipoles on a ferromagnet can affect its magnetization direction. The Journal of Chemical Physics. 2023;159(10). doi:10.1063/5.0165806

2023 | Published | Journal Article | IST-REx-ID: 14603 |

Reinhardt A, Chew PY, Cheng B. A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals. Journal of Chemical Physics. 2023;159(18). doi:10.1063/5.0173341

2022 | Published | Journal Article | IST-REx-ID: 11400 |

Palaia I, Šarić A. Controlling cluster size in 2D phase-separating binary mixtures with specific interactions. The Journal of Chemical Physics. 2022;156(19). doi:10.1063/5.0087769

2022 | Published | Journal Article | IST-REx-ID: 12249 |

Cheng B. Computing chemical potentials of solutions from structure factors. The Journal of Chemical Physics. 2022;157(12). doi:10.1063/5.0107059

2020 | Published | Journal Article | IST-REx-ID: 8587 |

Li X, Yakaboylu E, Bighin G, Schmidt R, Lemeshko M, Deuchert A. Intermolecular forces and correlations mediated by a phonon bath. The Journal of Chemical Physics. 2020;152(16). doi:10.1063/1.5144759

2020 | Published | Journal Article | IST-REx-ID: 9658 |

Cheng B, Ceriotti M, Tribello GA. Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification. The Journal of Chemical Physics. 2020;152(4). doi:10.1063/1.5134461

2020 | Published | Journal Article | IST-REx-ID: 17907

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

View | DOI | PubMed | Europe PMC

2019 | Published | Journal Article | IST-REx-ID: 7422 |

Sokolowski TR, Paijmans J, Bossen L, et al. eGFRD in all dimensions. The Journal of Chemical Physics. 2019;150(5). doi:10.1063/1.5064867

[Preprint] View | DOI | Download Preprint (ext.) | WoS | arXiv

2018 | Published | Journal Article | IST-REx-ID: 9659 |

Cheng B, Ceriotti M. Communication: Computing the Tolman length for solid-liquid interfaces. The Journal of Chemical Physics. 2018;148(23). doi:10.1063/1.5038396

2017 | Published | Journal Article | IST-REx-ID: 14006

Baykusheva DR, Wörner HJ. Theory of attosecond delays in molecular photoionization. The Journal of Chemical Physics. 2017;146(12). doi:10.1063/1.4977933

View | DOI | PubMed | Europe PMC

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