NQCDynamics.jl: A Julia package for nonadiabatic quantum classical molecular dynamics in the condensed phase

Accurate and efficient methods to simulate nonadiabatic and quantum nuclear effects in high-dimensional and dissipative systems are crucial for the prediction of chemical dynamics in the condensed phase. To facilitate effective development, code sharing, and uptake of newly developed dynamics method...

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Bibliographic Details
Published in:	The Journal of chemical physics Vol. 156; no. 17; p. 174801
Main Authors:	Gardner, James, Douglas-Gallardo, Oscar A, Stark, Wojciech G, Westermayr, Julia, Janke, Svenja M, Habershon, Scott, Maurer, Reinhard J
Format:	Journal Article
Language:	English
Published:	United States 07.05.2022
ISSN:	1089-7690, 1089-7690
Online Access:	Get more information
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