An orthogonalization-free parallelizable framework for all-electron calculations in density functional theory B Gao, G Hu, Y Kuang, X Liu
SIAM Journal on Scientific Computing 44 (3), B723-B745, 2022
15 2022 An adaptive FEM with ITP approach for steady Schrödinger equation Y Kuang, G Hu
International Journal of Computer Mathematics 95 (1), 187-201, 2018
10 2018 On the validity of complex Langevin method for path integral computations Z Cai, X Dong, Y Kuang
SIAM Journal on Scientific Computing 43 (1), A685-A719, 2021
9 2021 Towards chemical accuracy using a multi-mesh adaptive finite element method in all-electron density functional theory Y Kuang, Y Shen, G Hu
Journal of Computational Physics 518, 113312, 2024
7 2024 An asymptotics-based adaptive finite element method for Kohn–Sham equation Y Shen, Y Kuang, G Hu
Journal of Scientific Computing 79, 464-492, 2019
6 2019 On stabilizing and accelerating SCF using ITP in solving Kohn–Sham equation Y Kuang, G Hu
Communications in Computational Physics 28 (3), 999-1018, 2020
4 2020 An entropic method for discrete systems with Gibbs entropy Z Cai, J Hu, Y Kuang, B Lin
SIAM Journal on Numerical Analysis 60 (4), 2345-2371, 2022
2 2022 An h-Adaptive finite element method for Kohn--Sham and time-dependent Kohn--Sham equations Y Kuang, Y Shen, G Hu
Journal on Numerical Methods and Computer Applications 42 (1), 33, 2021
2 2021 Regularization of the complex Langevin method Z Cai, Y Kuang, HK Tan
Physical Review D 105 (1), 014508, 2022
1 2022 A high-order accurate moving mesh finite element method for the radial Kohn–Sham equation Z Luo, Y Kuang
Molecular Physics, e2455533, 2025
2025 A hierarchical splines-based T Wang, Y Kuang, R Zhang, G Hu
arXiv preprint arXiv:2412.12580, 2024
2024 A novel splitting strategy to accelerate solving generalized eigenvalue problem from Kohn--Sham density functional theory Y Kuang, G Hu
arXiv preprint arXiv:2411.04661, 2024
2024 
Guanghui HuUniversity of Macauبريد إلكتروني تم التحقق منه على umac.mo