1 citations · 1 across the 2 of their papers we have counts for
4 papers
Boltzmann Generators for Condensed Matter via Riemannian Flow Matching
Emil Hoffmann, Maximilian Schebek, Leon Klein +2
Sampling equilibrium distributions is fundamental to statistical mechanics. While flow matching has emerged as scalable state-of-the-art paradigm for generative modeling, its poten…
Assessing generative modeling approaches for free energy estimates in condensed matter
Maximilian Schebek, Jiajun He, Emil Hoffmann +3
The accurate estimation of free energy differences between two states is a long-standing challenge in molecular simulations. Traditional approaches generally rely on sampling multi…
Estimating Solvation Free Energies with Boltzmann Generators
Maximilian Schebek, Nikolas M. Froböse, Bettina G. Keller +1
Accurate calculations of solvation free energies remain a central challenge in molecular simulations, often requiring extensive sampling and numerous alchemical intermediates to en…
Scalable Boltzmann Generators for equilibrium sampling of large-scale materials
Maximilian Schebek, Frank Noé, Jutta Rogal
The use of generative models to sample equilibrium distributions of many-body systems, as first demonstrated by Boltzmann Generators, has attracted substantial interest due to thei…