Large nonadiabatic quantum molecular dynamics simulations on parallel computers. - Fuyuki Shimojo; Satoshi Ohmura; Weiwei Mou; Rajiv K. Kalia; Aiichiro Nakano; Priya Vashishta (Comput. Phys. Commun., 2013)

QXMD: An open-source program for nonadiabatic quantum molecular dynamics. - Fuyuki Shimojo; Shogo Fukushima; Hiroyuki Kumazoe; Masaaki Misawa; Satoshi Ohmura; Pankaj Rajak; Kohei Shimamura; Lindsay Bassman Oftelie; Subodh Tiwari; Rajiv K. Kalia; Aiichiro Nakano; Priya Vashishta (SoftwareX, 2019)