Group Webinar May 20, 2020: Philipp Höllmer

From Werner KRAUTH

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Revision as of 22:29, 20 May 2020

Group seminar Wednesday, 20 May 2020, 10h30

Speaker: Philipp Höllmer Title: JeLLyFysh-Version1.1 — A General-Purpose Python Application for All-Atom Event-Chain Monte Carlo


Abstract: The open-source JeLLyFysh Python application implements the event-chain Monte Carlo algorithm (ECMC) for a wide range of all-atom systems. This talk introduces the application’s architecture, and shows how it systematically formulates the entire time evolution of ECMC in terms of events. A number of worked out simulation examples that use, in particular, the long-ranged Coulomb interaction and the cell-veto algorithm are presented. Finally, recent improvements of the application in its newest version 1.1 are highlighted for the first time. This version marks the next step on the application’s way to a basis code that fosters the development of irreversible Markov-chain algorithm.

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