3 citations · 3 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2025
chemtrain-deploy: A parallel and scalable framework for machine learning potentials in million-atom MD simulations
Paul Fuchs, Weilong Chen, Stephan Thaler +1
Machine learning potentials (MLPs) have advanced rapidly and show great promise to transform molecular dynamics (MD) simulations. However, most existing software tools are tied to…
stat.CO2025★ 3 cited
JaxSGMC: Modular stochastic gradient MCMC in JAX
Stephan Thaler, Paul Fuchs, Ana Cukarska +1
We present JaxSGMC, an application-agnostic library for stochastic gradient Markov chain Monte Carlo (SG-MCMC) in JAX. SG-MCMC schemes are uncertainty quantification (UQ) methods t…