Stephan Thaler | DeepAI

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Featured Co-authors

Julija Zavadlav
4 publications
Gregor Doehner
1 publication

research

∙ 12/15/2022

Scalable Bayesian Uncertainty Quantification for Neural Network Potentials: Promise and Pitfalls

Neural network (NN) potentials promise highly accurate molecular dynamic...

0 Stephan Thaler, et al. ∙

research

∙ 06/02/2021

Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting

In molecular dynamics (MD), neural network (NN) potentials trained botto...

0 Stephan Thaler, et al. ∙