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5 results in Authors: Ruihan Zhou

Physical Chemistry

Molecular insights into the influence of ions on water structure. I. Alkali metal ions in solution

Roya Savoj, Henry Agnew, Ruihan Zhou, Francesco Paesani

Version 2 posted 05 February 2024

497

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Theoretical and Computational Chemistry

Data-Driven Many-Body Simulations of Biomolecules with CCSD(T) Accuracy: I. Polyalanine in the Gas Phase

Ruihan Zhou, Ethan F. Bull-Vulpe, Yuanhui Pan, Francesco Paesani

Version 1 posted 25 March 2025

109

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Theoretical and Computational Chemistry

MBX v1.2: Accelerating Data-Driven Many-Body Molecular Dynamics Simulations

Shreya Gupta, Ethan F. Bull-Vulpe, Henry Agnew, Shishir Iyer, Xuanyu Zhu, Ruihan Zhou, Christopher Knight, Francesco Paesani

Version 3 posted 10 February 2025

416

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Theoretical and Computational Chemistry

Toward data-driven many-body simulations of biomolecules in solution: N-methyl acetamide as a proxy for the protein backbone

Ruihan Zhou, Marc Riera, Francesco Paesani

Version 2 posted 29 June 2023

481

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Theoretical and Computational Chemistry

Hydration Structure of Na+ and K+ Ions in Solution Predicted by Data-Driven Many-Body Potentials

Debbie Zhuang, Marc Riera, Ruihan Zhou, Alexander Deary, Francesco Paesani

Version 2 posted 28 October 2022

499

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