144 citations · 602 across the 24 of their papers we have counts for
24 papers
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…
The Liquid--Hexatic Transition for Soft Disks
Yoshihiko Nishikawa, Werner Krauth, A. C. Maggs
We study the liquid--hexatic transition of soft disks with massively parallel simulations and determine the equation of state as a function of system size. For systems with interac…
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…
Large-scale dynamics of event-chain Monte Carlo
A. C. Maggs, Werner Krauth
Event-chain Monte Carlo (ECMC) accelerates the sampling of hard-sphere systems, and has been generalized to the potentials used in classical molecular simulation. Rather than impos…
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…
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…