239 citations · 642 across the 12 of their papers we have counts for
4 papers · 1 filter
Smooth Normalizing Flows
Jonas Köhler, Andreas Krämer, Frank Noé
Normalizing flows are a promising tool for modeling probability distributions in physical systems. While state-of-the-art flows accurately approximate distributions and energies, a…
Temperature Steerable Flows and Boltzmann Generators
Manuel Dibak, Leon Klein, Andreas Krämer +1
Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples in thermodynamic eq…
Lettuce: PyTorch-based Lattice Boltzmann Framework
Mario Christopher Bedrunka, Dominik Wilde, Martin Kliemank +3
The lattice Boltzmann method (LBM) is an efficient simulation technique for computational fluid mechanics and beyond. It is based on a simple stream-and-collide algorithm on Cartes…
Machine Learning Implicit Solvation for Molecular Dynamics
Yaoyi Chen, Andreas Krämer, Nicholas E. Charron +3
Accurate modeling of the solvent environment for biological molecules is crucial for computational biology and drug design. A popular approach to achieve long simulation time scale…