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Oliver T. Unke

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Category: Materials Science

Workflows for Artificial Intelligence

, Authors: Jörg Behler, Gábor Csányi, Lucas Foppa, Kisung Kang, Marcel F. Langer, Johannes T. Margraf, Akhil S. Nair, Thomas A. R. Purcell, Patrick Rinke, Matthias Scheffler, Alexandre Tkatchenko, Milica Todorović, Oliver T. Unke, Yi Yao

Version 1 posted 13 November 2024

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Category: Theoretical and Computational Chemistry

Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields

, Authors: Adil Kabylda, J. Thorben Frank, Sergio Suarez Dou, Almaz Khabibrakhmanov, Leonardo Medrano Sandonas, Oliver T. Unke, Stefan Chmiela, Klaus-Robert Muller, Alexandre Tkatchenko

Version 1 posted 08 October 2024

1,593

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ISSN 2573-2293 (Online) ChemRxiv Archive

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