Density functional tight binding-based free energy simulations in the DFTB+ program

Izaac Mitchell, Bálint Aradi, Alister J. Page. Density functional tight binding-based free energy simulations in the DFTB+ program. Journal of Computational Chemistry, 39(29):2452-2458, 2018. [doi]

Authors

Izaac Mitchell

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Bálint Aradi

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Alister J. Page

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