Group Webinar May 20, 2020: Philipp Höllmer

From Werner KRAUTH

Revision as of 23:25, 20 May 2020; view current revision
←Older revision | Newer revision→
Jump to: navigation, search

Group Webinar Wednesday, 20 May 2020, 10h30

Speaker: Philipp Höllmer (University of Bonn)

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.

Reference: https://doi.org/10.1016/j.cpc.2020.107168

Live Recording: https://youtu.be/Io13Mh-gv5w

Return to Group Webinars

Personal tools