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"Density functional tight binding-based free energy simulations in the ..."

Izaac Mitchell, Bálint Aradi, Alister J. Page (2018)

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DOI: 10.1002/JCC.25583

access: closed

type: Journal Article

metadata version: 2022-10-02

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Izaac Mitchell, Bálint Aradi, Alister J. Page:
Density functional tight binding-based free energy simulations in the DFTB+ program. J. Comput. Chem. 39(29): 2452-2458 (2018)

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