Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations

• Fu, Xiang
• Wu, Zhenghao
• Wang, Wujie
• Xie, Tian
• Keten, Sinan
• Rafael Gómez-Bombarelli
• Tommi S Jaakkola

Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations

arXiv:2210.07237

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2022

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