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Physical Chemistry

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Molecular Force Field

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3 results in Keywords: Molecular Force Field

Physical Chemistry

DMFF: An Open-Source Automatic Differentiable Platform for Molecular Force Field Development and Molecular Dynamics Simulation

Xinyan Wang, Jichen Li, Lan Yang, Feiyang Chen, Yingze Wang, Junhan Chang, Junmin Chen, Linfeng Zhang, Kuang Yu

Version 1 posted 24 November 2022

1,647

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2

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Theoretical and Computational Chemistry

A Simple Electron-Density Based Force Field Model for High-Energy Interactions between Atoms and Molecules

José Romero, Paulo Limão-Vieira, Kersti Hermansson, Michael Probst

Version 3 posted 03 October 2023

392

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Physical Chemistry

A Polarizable Valence Electron Density Based Force Field for High-Energy Interactions between Atoms and Molecules

José Romero, Paulo Limão-Vieira, Thana Maihom, Kersti Hermansson, Michael Probst

Version 2 posted 27 March 2024

263

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