QXMD: An open-source program for nonadiabatic quantum molecular dynamics

Shimojo, Fuyuki; Fukushima, Shogo; Kumazoe, Hiroyuki; Misawa, Masaaki; Ohmura, Satoshi; Rajak, Pankaj; Shimamura, Kohei; Bassman Oftelie, Lindsay; Tiwari, Subodh; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya

doi:10.1016/j.softx.2019.100307

Title: QXMD: An open-source program for nonadiabatic quantum molecular dynamics

Journal Article · 01 July 2019 · SoftwareX

DOI: https://doi.org/10.1016/j.softx.2019.100307 · OSTI ID:1547939

Shimojo, Fuyuki; Fukushima, Shogo; Kumazoe, Hiroyuki; Misawa, Masaaki; Ohmura, Satoshi; Rajak, Pankaj; Shimamura, Kohei; Bassman Oftelie, Lindsay; Tiwari, Subodh; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya

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Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0014607

OSTI ID:: 1547939

Journal Information:: SoftwareX, Journal Name: SoftwareX Vol. 10 Journal Issue: C; ISSN 2352-7110

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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