2.3k citations · 9.5k across the 43 of their papers we have counts for
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DP-GEN: A concurrent learning platform for the generation of reliable deep learning based potential energy models
Yuzhi Zhang, Haidi Wang, Weijie Chen +4
In recent years, promising deep learning based interatomic potential energy surface (PES) models have been proposed that can potentially allow us to perform molecular dynamics simu…
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…
Deep neural network for the dielectric response of insulators
Linfeng Zhang, Mohan Chen, Xifan Wu +3
We introduce a deep neural network to model in a symmetry preserving way the environmental dependence of the centers of the electronic charge. The model learns from ab-initio densi…
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…
Isotope Effects in Liquid Water via Deep Potential Molecular Dynamics
Hsin-Yu Ko, Linfeng Zhang, Biswajit Santra +4
A comprehensive microscopic understanding of ambient liquid water is a major challenge for simulations as it simultaneously requires an accurate quantum mechanical de…