001053174 001__ 1053174
001053174 005__ 20260203123500.0
001053174 037__ $$aFZJ-2026-01506
001053174 041__ $$aEnglish
001053174 082__ $$a004
001053174 1001_ $$0P:(DE-Juel1)132590$$aMohanty, Sandipan$$b0$$eCorresponding author
001053174 1112_ $$aCECAM School "Atomistic Monte Carlo Simulations of Bio-molecular Systems"$$cJülich$$d2025-09-22 - 2025-09-26$$wGermany
001053174 245__ $$aAtomistic Monte Carlo Simulations of Bio-molecular Systems
001053174 260__ $$c2025
001053174 3367_ $$033$$2EndNote$$aConference Paper
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001053174 3367_ $$2BibTeX$$aINPROCEEDINGS
001053174 3367_ $$2ORCID$$aLECTURE_SPEECH
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001053174 520__ $$aThe CECAM school “Atomistic Monte Carlo Simulations of Bio-molecular Systems” took place at the Jülich Supercomputing Centre, Forschungszentrum Jülich, Germany, from 22 to 26 September 2025. A total of 19 scientists from 8 countries attended the school.The school started with a beginner level introduction to the theory of modern Monte Carlo (MC) methods, given by guest lecturer Prof. Anders Irbäck from Lund University, Sweden. Through alternating theory and hands-on sessions, the participants consolidated their understanding of MC techniques and their application to biological macro-molecules. The participants learned to set up their own protein folding simulations using different MC algorithms implemented in the software package ProFASi, and ran them on the JSC cluster JUSUF. ProFASi is an open source project actively developed by the organizers from the Simulation and Data Laboratory Biology at JSC. Guest lecturer, Prof. Stefan Wallin from Memorial University, Canada, demonstrated how the software may be extended and deployed for scientific research on MC techniques and application, beyond the research interests of the primary developers. Participants also presented posters describing their current research work, and, by means of intensive discussions with experienced MC researchers, generated exciting new ideas regarding the application of MC techniques in their research domains.
001053174 536__ $$0G:(DE-HGF)POF4-5111$$a5111 - Domain-Specific Simulation & Data Life Cycle Labs (SDLs) and Research Groups (POF4-511)$$cPOF4-511$$fPOF IV$$x0
001053174 7001_ $$0P:(DE-Juel1)132307$$aZimmermann, Olav$$b1
001053174 7001_ $$0P:(DE-Juel1)132189$$aMeinke, Jan$$b2
001053174 773__ $$0PERI:(DE-600)2532499-8
001053174 8564_ $$uhttps://www.cecam.org/workshop-details/atomistic-monte-carlo-simulations-of-bio-molecular-systems-1401
001053174 909CO $$ooai:juser.fz-juelich.de:1053174$$pVDB
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001053174 9131_ $$0G:(DE-HGF)POF4-511$$1G:(DE-HGF)POF4-510$$2G:(DE-HGF)POF4-500$$3G:(DE-HGF)POF4$$4G:(DE-HGF)POF$$9G:(DE-HGF)POF4-5111$$aDE-HGF$$bKey Technologies$$lEngineering Digital Futures – Supercomputing, Data Management and Information Security for Knowledge and Action$$vEnabling Computational- & Data-Intensive Science and Engineering$$x0
001053174 915__ $$0StatID:(DE-HGF)0040$$2StatID$$aPeer Review unknown
001053174 920__ $$lyes
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