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physics.comp-ph2019
Warm dense matter simulation via electron temperature dependent deep potential molecular dynamics
Yuzhi Zhang, Chang Gao, Linfeng Zhang +2
Simulating warm dense matter that undergoes a wide range of temperatures and densities is challenging. Predictive theoretical models, such as quantum-mechanics-based first-principl…
physics.comp-ph2019★ 83 cited
Deep learning inter-atomic potential model for accurate irradiation damage simulations
Hao Wang, Xun Guo, Linfeng Zhang +2
We propose a hybrid scheme that interpolates smoothly the Ziegler-Biersack-Littmark (ZBL) screened nuclear repulsion potential with a newly developed deep learning potential energy…