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Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program

Jonas Feldt1, Sebastião Miranda2, Frederico Pratas2

  • 1Institut für Physikalische Chemie, Universität Göttingen, Tammannstrasse 6, D-37077 Göttingen, Germany.

The Journal of Chemical Physics
|January 1, 2018
PubMed

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