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Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics

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The Journal of Chemical Physics | July 2023, Vol 159(3)

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Nature | January 2025

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Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics

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The Journal of Chemical Physics | July 2023, Vol 159(3)

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Nature | January 2025

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Improving machine learning force fields for molecular dynamics simulations with fine-grained force metrics

Zun Wang, Hongfei Wu, Lixin Sun, Xinheng He, Zhirong Liu, Bin Shao, Tong Wang, Tie-Yan Liu

The Journal of Chemical Physics | July 2023, Vol 159(3)

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MatterSim: A Deep Learning Atomistic Model Across Elements, Temperatures and Pressures

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December 2023

PDF Publication Vidéo Vidéo Vidéo Github