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

  • H. Mert Polat (Creator)
  • Hirad S. Salehi (Contributor)
  • Remco Hens (Creator)
  • Dominika O. Wasik (Creator)
  • Ahmadreza Rahbari (Creator)
  • Frédérick De Meyer (Contributor)
  • Céline Houriez (Creator)
  • Christophe Coquelet (Creator)
  • Sofia Calero (Creator)
  • David Dubbeldam (Creator)
  • Othonas A. Moultos (Creator)
  • Thijs J.H. Vlugt (Utrecht University) (Creator)

Dataset

Description

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
Publisher4TU.Centre for Research Data

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