"NNP/MM: Fast molecular dynamics simulations with machine learning ..."

Raimondas Galvelis et al. (2022)

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DOI: —

access: open

type: Informal or Other Publication

metadata version: 2022-02-02

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  - electronic edition @ arxiv.org (open access)
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  dblp key:
  - journals/corr/abs-2201-08110
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  - https://dblp.org/rec/journals/corr/abs-2201-08110
Raimondas Galvelis, Alejandro Varela-Rial, Stefan Doerr, Roberto Fino, Peter K. Eastman, Thomas E. Markland, John D. Chodera, Gianni De Fabritiis:
NNP/MM: Fast molecular dynamics simulations with machine learning potentials and molecular mechanics. CoRR abs/2201.08110 (2022)

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