17 citations · 61 across the 8 of their papers we have counts for
9 papers
All that structure matches does not glitter
Maya M. Martirossyan, Thomas Egg, Philipp Hoellmer +7
Generative models for materials, especially inorganic crystals, hold potential to transform the theoretical prediction of novel compounds and structures. Advancement in this field…
Open Materials Generation with Stochastic Interpolants
Philipp Hoellmer, Thomas Egg, Maya M. Martirossyan +11
The discovery of new materials is essential for enabling technological advancements. Computational approaches for predicting novel materials must effectively learn the manifold of…
Molecular simulation from modern statistics: Continuous-time, continuous-space, exact
Philipp Hoellmer, A. C. Maggs, Werner Krauth
In a world made of atoms, the computer simulation of molecular systems, such as proteins in water, plays an enormous role in science. Software packages that perform these computati…
Hard-disk computer simulations -- a historic perspective
Botao Li, Yoshihiko Nishikawa, Philipp Hoellmer +3
We discuss historic pressure computations for the hard-disk model performed since 1953, and compare them to results that we obtain with a powerful event-chain Monte Carlo and a mas…
Hard-disk dipoles and non-reversible Markov chains
Philipp Hoellmer, A. C. Maggs, Werner Krauth
We benchmark event-chain Monte Carlo (ECMC) algorithms for tethered hard-disk dipoles in two dimensions in view of application of ECMC to water models in molecular simulation. We c…
Sparse hard-disk packings and local Markov chains
Philipp Hoellmer, Nicolas Noirault, Botao Li +2
We propose locally stable sparse hard-disk packings, as introduced by Böröczky, as a model for the analysis and benchmarking of Markov-chain Monte Carlo (MCMC) algorithms. We first…
Direction-sweep Markov chains
Liang Qin, Philipp Hoellmer, Werner Krauth
We discuss a non-reversible, lifted Markov-chain Monte Carlo (MCMC) algorithm for particle systems in which the direction of proposed displacements is changed deterministically. Th…
JeLLyFysh-Version1.0 -- a Python application for all-atom event-chain Monte Carlo
Philipp Hoellmer, Liang Qin, Michael F. Faulkner +2
We present JeLLyFysh-Version1.0, an open-source Python application for event-chain Monte Carlo (ECMC), an event-driven irreversible Markov-chain Monte Carlo algorithm for classical…
The Talbot effect in the presence of interactions
Philipp Hoellmer, Jean-Sebastien Bernier, Corinna Kollath +3
We study both experimentally and theoretically, considering bosonic atoms in a periodic potential, the influence of interactions in a Talbot interferometer. While interactions decr…