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Sebastien Röcken
Sebastien Röcken
PhD Student @ TUM
Preverjeni e-poštni naslov na tum.de
Naslov
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Leto
Accurate machine learning force fields via experimental and simulation data fusion
S Röcken, J Zavadlav
npj Computational Materials 10 (1), 69, 2024
112024
chemtrain: Learning deep potential models via automatic differentiation and statistical physics
P Fuchs, S Thaler, S Röcken, J Zavadlav
Computer Physics Communications, 109512, 2025
22025
Predicting solvation free energies with an implicit solvent machine learning potential
S Röcken, AF Burnet, J Zavadlav
arXiv preprint arXiv:2406.00183, 2024
12024
Accurate machine learning force fields via experimental and simulation data fusion
J Zavadlav, S Röcken
2023
Supplementary Information: Accurate machine learning force fields with experimental and simulation data fusion
S Röcken, J Zavadlav
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