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

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posted on 12.05.2022, 11:55 by Mert PolatMert Polat, Thijs VlugtThijs Vlugt, Othonas A. Moultos, Hirad Seyed SalehiHirad Seyed Salehi, Remco Hens, Ahmadreza Rahbari, Dominika O. Wasik, Frederick de Meyer, Celine Houriez, Christophe Coquelet, Sofía Calero, David Dubbeldam

This dataset contains sample simulation input files to run Monte Carlo simulations of solutions of NaCl in water and a deep eutectic solvent. 

History

Publisher

4TU.ResearchData

Format

txt

Organizations

TU Delft, Faculty of Mechanical, Maritime and Materials Engineering, Department of Process and Energy; Mines ParisTech; TotalEnergies S.E.