1 code implementation • 21 Nov 2022 • Hongyu Yu, Boyu Liu, Yang Zhong, Liangliang Hong, Junyi Ji, Changsong Xu, Xingao Gong, Hongjun Xiang
This study introduces time-reversal E(3)-equivariant neural network and SpinGNN++ framework for constructing a comprehensive interatomic potential for magnetic systems, encompassing spin-orbit coupling and noncollinear magnetic moments.
1 code implementation • 6 Mar 2022 • Hongyu Yu, Yang Zhong, Liangliang Hong, Changsong Xu, Wei Ren, Xingao Gong, Hongjun Xiang
The development of machine learning interatomic potentials has immensely contributed to the accuracy of simulations of molecules and crystals.
no code implementations • 2 Oct 2021 • Hongyu Yu, Changsong Xu, Feng Lou, L. Bellaiche, Zhenpeng Hu, Xingao Gong, Hongjun Xiang
The effective spin Hamiltonian method is widely adopted to simulate and understand the behavior of magnetism.
