%0 Generic %A Polat, Mert %A Vlugt, Thijs %A Moultos, Othonas A. %A Seyed Salehi, Hirad %A Hens, Remco %A Rahbari, Ahmadreza %A Wasik, Dominika O. %A de Meyer, Frederick %A Houriez, Celine %A Coquelet, Christophe %D 2022 %T Sample simulation files for 'New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves' %U https://data.4tu.nl/articles/dataset/Sample_simulation_files_for_New_Features_of_the_Open_Source_Monte_Carlo_Software_Brick-CFCMC_Thermodynamic_Integration_and_Hybrid_Trial_Moves_/19738834/1 %R 10.4121/19738834.v1 %K Thermodynamics %K Monte Carlo simulations %K Molecular simulations %K Computational chemistry %K Continuous Fractional Component Monte Carlo (CFCMC) %X

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

%I 4TU.ResearchData