Interactions between free radicals and a graphene fragment: Physical versus chemical bonding, charge transfer, and deformation. - Fengting Wang; Lei Chen; Chuanjin Tian; Yan Meng; Zhigang Wang; Ruiqin Zhang; Mingxing Jin; Ping Zhang; Dajun Ding (J. Comput. Chem., 2011)

An improved DIIS method using a versatile residual matrix to accelerate SCF starting from a crude guess. - Linping Hu; Yanoar Pribadi Sarwono; Yonglong Ding; Fang He; Ruiqin Zhang (J. Comput. Chem., 2024)

A Q-learning method based on coarse-to-fine potential energy surface for locating transition state and reaction pathway. - Wenjun Xu; Yanling Zhao; Jialu Chen; Zhongyu Wan; Dadong Yan; Xinghua Zhang; Ruiqin Zhang (J. Comput. Chem., 2024)

Enhancing protein-ligand binding affinity prediction through sequential fusion of graph and convolutional neural networks. - Yimin Yang; Ruiqin Zhang; Zijing Lin (J. Comput. Chem., 2024)