Search Results for author: Niklas Frederik Schmitz

Found 1 papers, 1 papers with code

Algorithmic Differentiation for Automated Modeling of Machine Learned Force Fields

1 code implementation25 Aug 2022 Niklas Frederik Schmitz, Klaus-Robert Müller, Stefan Chmiela

Reconstructing force fields (FFs) from atomistic simulation data is a challenge since accurate data can be highly expensive.

Computational Efficiency

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