PyUNIxMD: A Python-based excited state molecular dynamics package

In Seong Lee, Jong-Kwon Ha, Daeho Han, Tae In Kim, Sung Wook Moon, Seung Kyu Min. PyUNIxMD: A Python-based excited state molecular dynamics package. Journal of Computational Chemistry, 42(24):1755-1766, 2021. [doi]

Abstract

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