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Yao-Kun Lei

2 results in Authors: Yao-Kun Lei

Theoretical and Computational Chemistry

Learning QM/MM Potential using Equivariant Multiscale Model

Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita

Version 1 posted 26 February 2024

524

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Theoretical and Computational Chemistry

Efficient Training of Neural Network Potentials for Chemical and Enzymatic Reactions by Continual Learning

Yao-Kun Lei, Kiyoshi Yagi, Yuji Sugita

Version 1 posted 18 October 2024

210

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