The analysis of a plane wave pseudopotential density functional theory code on a GPU machine. - Weile Jia; Zongyan Cao; Long Wang 008; Jiyun Fu; Xuebin Chi; Weiguo Gao; Lin-Wang Wang (Comput. Phys. Commun., 2013)

Fast plane wave density functional theory molecular dynamics calculations on multi-GPU machines. - Weile Jia; Jiyun Fu; Zongyan Cao; Long Wang 008; Xuebin Chi; Weiguo Gao; Lin-Wang Wang (J. Comput. Phys., 2013)