Othonas A. Moultos

发表

Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method

Thijs J. H. Vlugt, Remco Hens, Ahmadreza Rahbari, 2020, J. Chem. Inf. Model..

The role of molecular thermodynamics in developing industrial processes and novel products that meet the needs for a sustainable future

Othonas A. Moultos, Ioannis G. Economou, Panagiotis Krokidas, 2017 .

Recent advances in the continuous fractional component Monte Carlo methodology

Thijs J. H. Vlugt, Remco Hens, Ahmadreza Rahbari, 2020, Molecular Simulation.

OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS

André Bardow, Thijs J. H. Vlugt, S. H. Jamali, 2019, J. Chem. Inf. Model..

New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves

Thijs J. H. Vlugt, Remco Hens, Ahmadreza Rahbari, 2021, J. Chem. Inf. Model..

Solubility of Water in Hydrogen at High Pressures: A Molecular Simulation Study

Thijs J. H. Vlugt, Remco Hens, Ahmadreza Rahbari, 2019, Journal of Chemical & Engineering Data.

Molecular dynamics simulations of the diffusion coefficients of light n-alkanes in water over a wide range of temperature and pressure

Ioannis G. Economou, Othonas A. Moultos, Vasileios K. Michalis, 2016 .

Delft University of Technology Multiple linear regression and thermodynamic fluctuations are equivalent for computing thermodynamic derivatives from molecular simulation

J. Ilja Siepmann, Ahmadreza Rahbari, Othonas A. Moultos, 2020 .

Thermodynamic and Transport Properties of H2O + NaCl from Polarizable Force Fields.

Ioannis G. Economou, Athanassios Z. Panagiotopoulos, Othonas A. Moultos, 2015, Journal of chemical theory and computation.

Computing solubility parameters of deep eutectic solvents from Molecular Dynamics simulations

Thijs J. H. Vlugt, Hirad S. Salehi, Mahinder Ramdin, 2019, Fluid Phase Equilibria.

Self-diffusion coefficients of the binary (H2O + CO2) mixture at high temperatures and pressures

Ioannis G. Economou, Athanassios Z. Panagiotopoulos, Othonas A. Moultos, 2016 .

Prediction of Composition-Dependent Self-Diffusion Coefficients in Binary Liquid Mixtures: The Missing Link for Darken-Based Models

André Bardow, Thijs J. H. Vlugt, S. H. Jamali, 2018, Industrial & Engineering Chemistry Research.