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Theoretical and Computational Chemistry

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Almaz Khabibrakhmanov

2 results in Authors: Almaz Khabibrakhmanov

Theoretical and Computational Chemistry

Noncovalent Interactions in Density Functional Theory: All the Charge Density We Do Not See

Almaz Khabibrakhmanov, Matteo Gori, Carolin Müller, Alexandre Tkatchenko

Version 1 posted 21 October 2024

437

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Theoretical and Computational Chemistry

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

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

1,605

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