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cond-mat.mtrl-sci2019★ 2 cited
An Electrostatic Spectral Neighbor Analysis Potential (eSNAP) for Lithium Nitride
Zhi Deng, Chi Chen, Xiang-Guo Li +1
Machine-learned interatomic potentials based on local environment descriptors represent a transformative leap over traditional potentials based on rigid functional forms in terms o…
cond-mat.mtrl-sci2018★ 132 cited
Quantum-Accurate Spectral Neighbor Analysis Potential Models for Ni-Mo Binary Alloys and FCC Metals
Xiang-Guo Li, Chongze Hu, Chi Chen +3
In recent years, efficient inter-atomic potentials approaching the accuracy of density functional theory (DFT) calculations have been developed using rigorous atomic descriptors sa…