All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT
Shang, Honghui, Raimbault, Nathaniel, Rinke, Patrick, Scheffler, Matthias, Rossi, Mariana, Carbogno, Christian
Published in New journal of physics (19.07.2018)
Published in New journal of physics (19.07.2018)
Get full text
Journal Article
HONPAS: A linear scaling open-source solution for large system simulations
Qin, Xinming, Shang, Honghui, Xiang, Hongjun, Li, Zhenyu, Yang, Jinlong
Published in International journal of quantum chemistry (15.05.2015)
Published in International journal of quantum chemistry (15.05.2015)
Get full text
Journal Article
Coupled Electronic and Anharmonic Structural Dynamics for Carrier Self‐Trapping in Photovoltaic Antimony Chalcogenides
Tao, Weijian, Zhu, Leilei, Li, Kanghua, Chen, Chao, Chen, Yuzhong, Li, Yujie, Li, Xufeng, Tang, Jiang, Shang, Honghui, Zhu, Haiming
Published in Advanced science (01.09.2022)
Published in Advanced science (01.09.2022)
Get full text
Journal Article
Solving the Electronic Schrödinger Equation by Pairing Tensor-Network State with Neural Network Quantum State
Kan, Bowen, Tian, Yingqi, Xie, Daiyou, Wu, Yangjun, Fan, Yi, Shang, Honghui
Published in Mathematics (Basel) (01.01.2024)
Published in Mathematics (Basel) (01.01.2024)
Get full text
Journal Article
Towards practical and massively parallel quantum computing emulation for quantum chemistry
Shang, Honghui, Fan, Yi, Shen, Li, Guo, Chu, Liu, Jie, Duan, Xiaohui, Li, Fang, Li, Zhenyu
Published in npj quantum information (07.04.2023)
Published in npj quantum information (07.04.2023)
Get full text
Journal Article
A Real Neural Network State for Quantum Chemistry
Wu, Yangjun, Xu, Xiansong, Poletti, Dario, Fan, Yi, Guo, Chu, Shang, Honghui
Published in Mathematics (Basel) (01.03.2023)
Published in Mathematics (Basel) (01.03.2023)
Get full text
Journal Article
OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources
Wu, Zhikun, Shang, Honghui, Wu, Yangjun, Zhang, Zhongcheng, Liu, Ying, Zhang, Yuyang, Ouyang, Yucheng, Cui, Huimin, Feng, Xiaobing
Published in Frontiers in chemistry (26.05.2023)
Published in Frontiers in chemistry (26.05.2023)
Get full text
Journal Article
Corrigendum: OpenCL-accelerated first-principles calculations of all-electron quantum perturbations on HPC resources
Wu, Zhikun, Shang, Honghui, Wu, Yangjun, Zhang, Zhongcheng, Liu, Ying, Zhang, Yuyang, Ouyang, Yucheng, Cui, Huimin, Feng, Xiaobing
Published in Frontiers in chemistry (20.06.2023)
Published in Frontiers in chemistry (20.06.2023)
Get full text
Journal Article
Evidence for photogenerated intermediate hole polarons in ZnO
Sezen, Hikmet, Shang, Honghui, Bebensee, Fabian, Yang, Chengwu, Buchholz, Maria, Nefedov, Alexei, Heissler, Stefan, Carbogno, Christian, Scheffler, Matthias, Rinke, Patrick, Wöll, Christof
Published in Nature communications (22.04.2015)
Published in Nature communications (22.04.2015)
Get full text
Journal Article