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PyUNIxMD: A Python‐based excited state molecular dynamics package
Theoretical/computational description of excited state molecular dynamics is nowadays a crucial tool for understanding light‐matter interactions in many materials. Here we present an open‐source Python‐based nonadiabatic molecular dynamics program package, namely PyUNIxMD, to deal with mixed quantum...
Autores principales: | Lee, In Seong, Ha, Jong‐Kwon, Han, Daeho, Kim, Tae In, Moon, Sung Wook, Min, Seung Kyu |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
John Wiley & Sons, Inc.
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8362049/ https://www.ncbi.nlm.nih.gov/pubmed/34197646 http://dx.doi.org/10.1002/jcc.26711 |
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