"Training machine learning potentials for reactive systems: A Colab ..."

Xiaoliang Pan et al. (2024)

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DOI: 10.1002/JCC.27269

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type: Journal Article

metadata version: 2024-10-06

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Xiaoliang Pan, Ryan Snyder, Jia-Ning Wang, Chance Lander, Carly Wickizer, Richard Van, Andrew Chesney, Yuanfei Xue, Yuezhi Mao, Ye Mei, Jingzhi Pu, Yihan Shao:
Training machine learning potentials for reactive systems: A Colab tutorial on basic models. J. Comput. Chem. 45(10): 638-647 (2024)

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