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Molecular Simulation Volume 47, 2021 - Issue 2-3: DL_POLY 25th Anniversary
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A neural network interface for DL_POLY and its application to liquid water

Ivan Sukubaa Institute of Ion Physics and Applied Physics, University of Innsbruck, Innsbruck, Austria;b Department of Nuclear Physics and Biophysics, Faculty of Mathematics, Physics and Informatics, Comenius University, Bratislava, SlovakiaView further author information
,
Lei Chena Institute of Ion Physics and Applied Physics, University of Innsbruck, Innsbruck, AustriaView further author information
,
Michael Probsta Institute of Ion Physics and Applied Physics, University of Innsbruck, Innsbruck, AustriaView further author information
&
Alexander Kaisera Institute of Ion Physics and Applied Physics, University of Innsbruck, Innsbruck, AustriaCorrespondence[email protected]
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Pages 113-118 | Received 25 Jan 2018, Accepted 12 Dec 2018, Published online: 27 Dec 2018

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