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Xingao Gong
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2020 – today
- 2024
- [j6]Taoyong Cui
, Chenyu Tang, Mao Su
Geometry-enhanced pretraining on interatomic potentials. Nat. Mac. Intell. 6(4): 428-436 (2024) - [i7]Yang Zhong, Jihui Yang, Hongjun Xiang, Xingao Gong:
Universal Machine Learning Kohn-Sham Hamiltonian for Materials. CoRR abs/2402.09251 (2024) - 2023
- [j5]Mao Su
Efficient determination of the Hamiltonian and electronic properties using graph neural network with complete local coordinates. Mach. Learn. Sci. Technol. 4(3): 35010 (2023) - 2022
- [i6]Yang Zhong, Hongyu Yu, Xingao Gong, Hongjun Xiang:
Edge-based Tensor prediction via graph neural networks. CoRR abs/2201.05770 (2022) - [i5]Hongyu Yu, Yang Zhong, Changsong Xu, Xingao Gong, Hongjun Xiang:
Graph Neural Network Potential for Magnetic Materials. CoRR abs/2203.02853 (2022) - [i4]Yang Zhong, Hongyu Yu, Mao Su, Xingao Gong, Hongjun Xiang:
Transferable E(3) equivariant parameterization for Hamiltonian of molecules and solids. CoRR abs/2210.16190 (2022) - [i3]Hongyu Yu, Yang Zhong, Junyi Jessy Ji, Xingao Gong, Hongjun Xiang:
Time-reversal equivariant neural network potential and Hamiltonian for magnetic materials. CoRR abs/2211.11403 (2022) - [i2]Hongyu Yu, Liangliang Hong, Shiyou Chen, Xingao Gong, Hongjun Xiang:
Capturing long-range interaction with reciprocal space neural network. CoRR abs/2211.16684 (2022) - 2021
- [i1]Hongyu Yu, Changsong Xu, Feng Lou, L. Bellaiche, Zhenpeng Hu, Xingao Gong, Hongjun Xiang:
Complex Spin Hamiltonian Represented by Artificial Neural Network. CoRR abs/2110.00724 (2021)
2010 – 2019
- 2017
- [j4]Yan Pan, Xiaoying Dai, Stefano de Gironcoli
A parallel orbital-updating based plane-wave basis method for electronic structure calculations. J. Comput. Phys. 348: 482-492 (2017) - 2014
- [j3]Huajie Chen, Xiaoying Dai, Xingao Gong, Lianhua He, Aihui Zhou:
Adaptive Finite Element Approximations for Kohn-Sham Models. Multiscale Model. Simul. 12(4): 1828-1869 (2014) - 2013
- [j2]Huajie Chen, Xingao Gong, Lianhua He, Zhang Yang, Aihui Zhou:
Numerical analysis of finite dimensional approximations of Kohn-Sham models. Adv. Comput. Math. 38(2): 225-256 (2013) - 2011
- [j1]Xiaoying Dai, Xingao Gong, Zhang Yang, Dier Zhang, Aihui Zhou:
Finite Volume Discretizations for Eigenvalue Problems with Applications to Electronic Structure Calculations. Multiscale Model. Simul. 9(1): 208-240 (2011)
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