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@INPROCEEDINGS{Mohanty:1053174,
      author       = {Mohanty, Sandipan and Zimmermann, Olav and Meinke, Jan},
      title        = {{A}tomistic {M}onte {C}arlo {S}imulations of
                      {B}io-molecular {S}ystems},
      reportid     = {FZJ-2026-01506},
      year         = {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.},
      month         = {Sep},
      date          = {2025-09-22},
      organization  = {CECAM School "Atomistic Monte Carlo
                       Simulations of Bio-molecular Systems",
                       Jülich (Germany), 22 Sep 2025 - 26 Sep
                       2025},
      subtyp        = {Other},
      cin          = {JSC},
      ddc          = {004},
      cid          = {I:(DE-Juel1)JSC-20090406},
      pnm          = {5111 - Domain-Specific Simulation $\&$ Data Life Cycle Labs
                      (SDLs) and Research Groups (POF4-511)},
      pid          = {G:(DE-HGF)POF4-5111},
      typ          = {PUB:(DE-HGF)31},
      url          = {https://juser.fz-juelich.de/record/1053174},
}