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Thorben Frank
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So3krates: Equivariant attention for interactions on arbitrary length-scales in molecular systems
T Frank, O Unke, KR Müller
Advances in Neural Information Processing Systems 35, 29400-29413, 2022
632022
A Euclidean transformer for fast and stable machine learned force fields
JT Frank, OT Unke, KR Müller, S Chmiela
Nature Communications 15 (1), 6539, 2024
17*2024
Stress and heat flux via automatic differentiation
MF Langer, JT Frank, F Knoop
The Journal of Chemical Physics 159 (17), 2023
132023
Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields
A Kabylda*, JT Frank*, SS Dou, A Khabibrakhmanov, LM Sandonas, ...
92024
Crash testing machine learning force fields for molecules, materials, and interfaces: Model analysis in the tea challenge 2023
I Poltavsky, A Charkin-Gorbulin, M Puleva, GC Fonseca, I Batatia, ...
62024
Learning Neural Network Quantum States with the Linear Method
JT Frank, MJ Kastoryano
arXiv preprint arXiv:2104.11011, 2021
5*2021
Detect the interactions that matter in matter: Geometric attention for many-body systems
T Frank, S Chmiela
arXiv preprint arXiv:2106.02549, 2021
32021
Euclidean Fast Attention: Machine Learning Global Atomic Representations at Linear Cost
JT Frank, S Chmiela, KR Müller, OT Unke
arXiv preprint arXiv:2412.08541, 2024
2024
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Articles 1–8