J Thorben Frank

3PUBLICATIONS
14CO-AUTHORS
Computational chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (3)

|Feb 12, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023.

Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva

|Feb 06, 2025
Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023.

Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin

|Nov 03, 2023
Stress and heat flux via automatic differentiation.

Marcel F Langer, J Thorben Frank, Florian Knoop

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Frequent Collaborators

2 joint publications

Alexandre Tkatchenko

2 joint publications

O Anatole von Lilienfeld

2 joint publications

Igor Poltavsky

2 joint publications

Silvan Käser