QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO  and LAMMPS

Published 2015 View Full Article

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Title
QMMMW: A wrapper for QM/MM simulations with Quantum ESPRESSO  and LAMMPS
Authors
Keywords
Quantum mechanics, Molecular mechanics, QM/MM methods, Condensed-phase simulations
Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 195, Issue -, Pages 191-198
Publisher
Elsevier BV
Online
2015-05-09
DOI
10.1016/j.cpc.2015.04.024

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