242 citations · 574 across the 14 of their papers we have counts for
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physics.comp-ph2022
RLEKF: An Optimizer for Deep Potential with Ab Initio Accuracy
Siyu Hu, Wentao Zhang, Qiuchen Sha +5
It is imperative to accelerate the training of neural network force field such as Deep Potential, which usually requires thousands of images based on first-principles calculation a…
cs.DC2022★ 41 cited
Extending the limit of molecular dynamics with ab initio accuracy to 10 billion atoms
Zhuoqiang Guo, Denghui Lu, Yujin Yan +11
High-performance computing, together with a neural network model trained from data generated with first-principles methods, has greatly boosted applications of \textit{ab initio} m…