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| Talk (non-conference) (Other) | FZJ-2026-01506 |
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2025
Abstract: The CECAM school “Atomistic Monte Carlo Simulations of Bio-molecular Systems” took place at the Jülich Supercomputing Centre, Forschungszentrum Jülich, Germany, from 22 to 26 September 2025. A total of 19 scientists from 8 countries attended the school.The school started with a beginner level introduction to the theory of modern Monte Carlo (MC) methods, given by guest lecturer Prof. Anders Irbäck from Lund University, Sweden. Through alternating theory and hands-on sessions, the participants consolidated their understanding of MC techniques and their application to biological macro-molecules. The participants learned to set up their own protein folding simulations using different MC algorithms implemented in the software package ProFASi, and ran them on the JSC cluster JUSUF. ProFASi is an open source project actively developed by the organizers from the Simulation and Data Laboratory Biology at JSC. Guest lecturer, Prof. Stefan Wallin from Memorial University, Canada, demonstrated how the software may be extended and deployed for scientific research on MC techniques and application, beyond the research interests of the primary developers. Participants also presented posters describing their current research work, and, by means of intensive discussions with experienced MC researchers, generated exciting new ideas regarding the application of MC techniques in their research domains.
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