Zobrazeno 1 - 4
of 4
pro vyhledávání: '"Philipp Höllmer"'
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-16 (2024)
Abstract In a world made of atoms, computer simulations of molecular systems such as proteins in water play an enormous role in science. Software packages for molecular simulation have been developed for decades. They all discretize Hamilton’s equa
Externí odkaz:
https://doaj.org/article/d3040cd9eea4466094be343dac3ac148
Publikováno v:
The Journal of Chemical Physics. 157:234111
We discuss pressure computations for the hard-disk model performed since 1953 and compare them to the results that we obtain with a powerful event-chain Monte Carlo and a massively parallel Metropolis algorithm. Like other simple models in the scienc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0bb02e0f427b79a864cf04016398a4c9
https://doi.org/10.1063/5.0126437
https://doi.org/10.1063/5.0126437
Publikováno v:
Computer Physics Communications
Computer Physics Communications, Elsevier, 2020, 253, pp.107168. ⟨10.1016/j.cpc.2020.107168⟩
Computer Physics Communications, Elsevier, 2020, 253, pp.107168. ⟨10.1016/j.cpc.2020.107168⟩
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 N-body simulations in statistical mechanics, biophysics and electroch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b9cc0637bf19d16e636f502c1933d6b4
https://hal.archives-ouvertes.fr/hal-03008111
https://hal.archives-ouvertes.fr/hal-03008111
Publikováno v:
Journal of Physics A: Mathematical and Theoretical. 55:105003
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. This algorithm sweeps through directions analogously to the popular MCMC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a7f28ebf2efd5bc2ad2c70bc853487bd
https://doi.org/10.1088/1751-8121/ac508a
https://doi.org/10.1088/1751-8121/ac508a