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

  • H.M. Polat (Creator)
  • T.J.H. Vlugt (Creator)
  • O. Moultos (Creator)
  • H. Seyed Salehi (Creator)
  • R. Hens (Creator)
  • A. Rahbari (Creator)
  • Dominika O. Wasik (Creator)
  • Frédérick De Meyer (Creator)
  • Céline Houriez (Creator)
  • Christophe Coquelet (Creator)
  • Sofía Calero (Creator)
  • D. Dubbeldam (Creator)



This dataset contains sample simulation input files to run Monte Carlo simulations of solutions of NaCl in water and a deep eutectic solvent.
Date made available12 May 2022
PublisherTU Delft - 4TU.ResearchData

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