Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm基于量子力学挖掘极小值算法的蛋白质-配体结合自由能计算JOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52025-04-090OA
Preferred Orientation of a Physisorbed Molecular Catalyst and Implications for SelectivityACS PHYSICAL CHEMISTRY AUIF4.32025-03-010OAAI
The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large SystemsJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52024-03-074PRE
The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel ArchitecturesJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52023-10-0429OA
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Moller-Plesset perturbation methodJOURNAL OF CHEMICAL PHYSICSIF3.12023-04-288PRE
Computation of host-guest binding free energies with a new quantum mechanics based mining minima algorithmJOURNAL OF CHEMICAL PHYSICSIF3.12021-03-128OAAI
Recent developments in the general atomic and molecular electronic structure system一般原子和分子电子结构系统的最新进展JOURNAL OF CHEMICAL PHYSICSIF3.12020-04-16997OAAI
Perspective: Ab initio force field methods derived from quantum mechanicsJOURNAL OF CHEMICAL PHYSICSIF3.12018-03-0553OAAI
The R-7 Dispersion Interaction in the General Effective Fragment Potential MethodJOURNAL OF CHEMICAL THEORY AND COMPUTATIONIF5.52014-03-2132PREAI
Charge transfer interaction using quasiatomic minimal-basis orbitals in the effective fragment potential methodJOURNAL OF CHEMICAL PHYSICSIF3.12013-11-1822OAAI
Accurate First Principles Model Potentials for Intermolecular InteractionsANNUAL REVIEW OF PHYSICAL CHEMISTRYIF02013-04-01163PREAI
个人简介
教育背景
工作经历
荣誉奖项
未登录.png){kind=icon}
未登录个人简介教育背景工作经历荣誉奖项
研究方向