Sample simulation files for 'New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves'

Contributors
  • Ahmadreza Rahbari
  • Remco Hens
  • Othonas A. Moultos
  • Frédérick De Meyer
  • Dominika O. Wasik
  • Céline Houriez
  • David Dubbeldam ORCID logo
  • Christophe Coquelet
Publication date 2022
Description This dataset contains sample simulation input files to run Monte Carlo simulations of solutions of NaCl in water and a deep eutectic solvent.
Publisher 4TU.ResearchData
Organisations
  • Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
Document type Dataset
Related dataset Sample simulation files for 'New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves'
Related publication New Features of the Open Source Monte Carlo Software Brick-CFCMC
DOI https://doi.org/10.4121/19738834.v1
Other links https://data.4tu.nl/articles/_/19738834
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