Data-Driven Parametrization of Molecular Mechanics Force Fields for Expansive Chemical Space Coverage

Tianze Zheng, Ailun Wang, Xu Han, Yu Xia, Xingyuan Xu, Jiawei Zhan, Yu Liu, Yang Chen, Zhi Wang, Xiaojie Wu, Sheng Gong, Wen Yan
August, 2024
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Jiawei Zhan
Jiawei Zhan
Ph.D. candidate in quantum science and engineering

My research interests include deep learning, quantum chemistry and high-performance computing.