Open Boundary Modeling in Molecular Dynamics with Machine Learning

Philipp Neumann, Niklas Wittmer. Open Boundary Modeling in Molecular Dynamics with Machine Learning. In Valeria V. Krzhizhanovskaya, Gábor Závodszky, Michael Harold Lees, Jack J. Dongarra, Peter M. A. Sloot, Sérgio Brissos, João Teixeira, editors, Computational Science - ICCS 2020 - 20th International Conference, Amsterdam, The Netherlands, June 3-5, 2020, Proceedings, Part VI. Volume 12142 of Lecture Notes in Computer Science, pages 334-347, Springer, 2020. [doi]

Authors

Philipp Neumann

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Niklas Wittmer

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