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3 results in Authors: Xinyan Wang

Materials Science

Data-Driven Parametrization of All-atom force fields for Organic Semiconductors

Guojiang Zhao, Taiping Hu, Hongshuai Wang, Lirong Wu, Shuqi Lu, FengTianCi Yang, Shangqian Chen, Zhifeng Gao, Xinyan Wang, Zheng Cheng

Version 1 posted 27 December 2024

96

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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

1,559

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2

Citations

Organic Chemistry

Ab initio Accuracy Neural Network Potential for Drug-like Molecules

Manyi Yang, Duo Zhang, Xinyan Wang, Lingfeng Zhang, Tong Zhu, Han Wang

Version 1 posted 20 May 2024

611

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