112 citations · 237 across the 19 of their papers we have counts for
Showing cs.LGShow all
2 papers · 1 filter
cs.LG2026
Coarse-Grained Boltzmann Generators
Weilong Chen, Bojun Zhao, Jan Eckwert +1
Sampling equilibrium molecular configurations from the Boltzmann distribution is a longstanding challenge. Boltzmann Generators (BGs) address this by combining exact-likelihood gen…
cs.LG2025
Enhancing Machine Learning Potentials through Transfer Learning across Chemical Elements
Sebastien Röcken, Julija Zavadlav
Machine Learning Potentials (MLPs) can enable simulations of ab initio accuracy at orders of magnitude lower computational cost. However, their effectiveness hinges on the availabi…