Publicaties

• 2021

  Effect of Water Content on Thermodynamic Properties of Compressed Hydrogen

  Ahmadreza Rahbari / Julio C. Garcia-Navarro / Mahinder Ramdin / Leo J.P. Van Den Broeke / Othonas A. Moultos / David Dubbeldam / Thijs J.H. Vlugt

• 2021

  New Features of the Open Source Monte Carlo Software Brick-CFCMC

  Thermodynamic Integration and Hybrid Trial Moves
  H. Mert Polat / Hirad S. Salehi / Remco Hens / Dominika O. Wasik / Ahmadreza Rahbari / Frédérick De Meyer / Céline Houriez / Christophe Coquelet / Sofia Calero / David Dubbeldam / Othonas A. Moultos / Thijs J.H. Vlugt

• 2020

  Brick-CFCMC

  Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method
  Remco Hens / Ahmadreza Rahbari / Sebastián Caro-Ortiz / Noura Dawass / Máté Erdős / Ali Poursaeidesfahani / Hirad S. Salehi / Alper T. Celebi / Mahinder Ramdin / Othonas A. Moultos / David Dubbeldam / Thijs J.H. Vlugt

• 2020

  Multiple Free Energy Calculations from Single State Point Continuous Fractional Component Monte Carlo Simulation Using Umbrella Sampling

  Ahmadreza Rahbari / Remco Hens / Othonas A. Moultos / David Dubbeldam / Thijs J.H. Vlugt

• 2020

  Multiple linear regression and thermodynamic fluctuations are equivalent for computing thermodynamic derivatives from molecular simulation

  Ahmadreza Rahbari / Tyler R. Josephson / Yangzesheng Sun / Othonas A. Moultos / David Dubbeldam / J. Ilja Siepmann / Thijs J.H. Vlugt

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