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ORCIDThijs J. H. Vlugt
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Journal Articles
- 2021
[j6]H. Mert Polat
, Hirad S. Salehi, Remco Hens, Dominika O. Wasik, Ahmadreza Rahbari, Frédérick de Meyer, Céline Houriez, Christophe Coquelet, Sofía Calero, David Dubbeldam, Othonas A. Moultos, Thijs J. H. Vlugt:
New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves. J. Chem. Inf. Model. 61(8): 3752-3757 (2021)- 2020
- [j5]Remco Hens, Ahmadreza Rahbari, Sebastián Caro-Ortiz, Noura Dawass, Máté Erdos, Ali Poursaeidesfahani, Hirad S. Salehi, Alper T. Celebi, Mahinder Ramdin, Othonas A. Moultos, David Dubbeldam, Thijs J. H. Vlugt:
Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method. J. Chem. Inf. Model. 60(6): 2678-2682 (2020) - 2019
- [j4]Seyed Hossein Jamali, Ludger Wolff, Tim M. Becker, Mariëtte de Groen, Mahinder Ramdin, Remco Hartkamp, André Bardow, Thijs J. H. Vlugt, Othonas A. Moultos:
OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS. J. Chem. Inf. Model. 59(4): 1290-1294 (2019) - 2016
- [j3]Mahinder Ramdin, Qu Chen, Sayee Prasaad Balaji, José Manuel Vicent-Luna, Ariana Torres-Knoop, David Dubbeldam, Sofía Calero, Theo W. de Loos, Thijs J. H. Vlugt:
Solubilities of CO2, CH4, C2H6, and SO2 in ionic liquids and Selexol from Monte Carlo simulations. J. Comput. Sci. 15: 74-80 (2016) - [j2]Tim M. Becker, David Dubbeldam, Li-Chiang Lin, Thijs J. H. Vlugt:
Investigating polarization effects of CO2 adsorption in MgMOF-74. J. Comput. Sci. 15: 86-94 (2016) - 2007
- [j1]Philipp Schapotschnikow, René Pool, Thijs J. H. Vlugt:
Selective adsorption of alkyl thiols on gold in different geometries. Comput. Phys. Commun. 177(1-2): 154-157 (2007)
Coauthor Index
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