Xingao Gong

15 papers Journal 15
YearRankTypeTitle / Venue / Authors
2026 J jnl
Physics-Informed Long-Range Coulomb Correction for Machine-learning Hamiltonians.
CoRR
Yang Zhong, Xiwen Li, Xingao Gong, Hongjun Xiang
2025 J jnl
An Agentic Framework for Autonomous Materials Computation.
CoRR
Zeyu Xia, Jinzhe Ma, Congjie Zheng, Shufei Zhang, Yuqiang Li, Hang Su, P. Hu, Changshui Zhang, Xingao Gong, Wanli Ouyang, Lei Bai, Dongzhan Zhou, Mao Su
2024 J jnl
Geometry-enhanced pretraining on interatomic potentials.
Nat. Mac. Intell.
Taoyong Cui, Chenyu Tang, Mao Su, Shufei Zhang, Yuqiang Li, Lei Bai, Yuhan Dong, Xingao Gong, Wanli Ouyang
2024 J jnl
Universal Machine Learning Kohn-Sham Hamiltonian for Materials.
CoRR
Yang Zhong, Jihui Yang, Hongjun Xiang, Xingao Gong
2023 J jnl
Efficient determination of the Hamiltonian and electronic properties using graph neural network with complete local coordinates.
Mach. Learn. Sci. Technol.
Mao Su, Ji-Hui Yang, Hongjun Xiang, Xingao Gong
2022 J jnl
Capturing long-range interaction with reciprocal space neural network.
CoRR
Hongyu Yu, Liangliang Hong, Shiyou Chen, Xingao Gong, Hongjun Xiang
2022 J jnl
Edge-based Tensor prediction via graph neural networks.
CoRR
Yang Zhong, Hongyu Yu, Xingao Gong, Hongjun Xiang
2022 J jnl
Graph Neural Network Potential for Magnetic Materials.
CoRR
Hongyu Yu, Yang Zhong, Changsong Xu, Xingao Gong, Hongjun Xiang
2022 J jnl
Time-reversal equivariant neural network potential and Hamiltonian for magnetic materials.
CoRR
Hongyu Yu, Yang Zhong, Junyi Jessy Ji, Xingao Gong, Hongjun Xiang
2022 J jnl
Transferable E(3) equivariant parameterization for Hamiltonian of molecules and solids.
CoRR
Yang Zhong, Hongyu Yu, Mao Su, Xingao Gong, Hongjun Xiang
2021 J jnl
Complex Spin Hamiltonian Represented by Artificial Neural Network.
CoRR
Hongyu Yu, Changsong Xu, Feng Lou, L. Bellaiche, Zhenpeng Hu, Xingao Gong, Hongjun Xiang
2017 J jnl
A parallel orbital-updating based plane-wave basis method for electronic structure calculations.
J. Comput. Phys.
Yan Pan, Xiaoying Dai, Stefano de Gironcoli, Xingao Gong, Gian-Marco Rignanese, Aihui Zhou
2014 J jnl
Adaptive Finite Element Approximations for Kohn-Sham Models.
Multiscale Model. Simul.
Huajie Chen, Xiaoying Dai, Xingao Gong, Lianhua He, Aihui Zhou
2013 J jnl
Numerical analysis of finite dimensional approximations of Kohn-Sham models.
Adv. Comput. Math.
Huajie Chen, Xingao Gong, Lianhua He, Zhang Yang, Aihui Zhou
2011 J jnl
Finite Volume Discretizations for Eigenvalue Problems with Applications to Electronic Structure Calculations.
Multiscale Model. Simul.
Xiaoying Dai, Xingao Gong, Zhang Yang, Dier Zhang, Aihui Zhou