Othonas A. Moultos

Finite-Size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics

Seyed Hossein Jamali, L. Wolff, Tim M. Becker et al. · Journal of Chemical Theory and Computation · 2018 · 171 citations · Full text

Natural Sciences, Chemistry, Physics +17

System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, <i>n</i>-alkanes, and poly(ethylene glycol) dimethyl ethers

Othonas A. Moultos, Yong Zhang, Ioannis N. Tsimpanogiannis et al. · The Journal of Chemical Physics · 2016 · 136 citations · Full text

Natural Sciences, Chemistry, Physical Chemistry +16

Structural, Thermodynamic, and Transport Properties of Aqueous Reline and Ethaline Solutions from Molecular Dynamics Simulations

Alper T. Celebi, Thijs J. H. Vlugt, Othonas A. Moultos · The Journal of Physical Chemistry B · 2019 · 125 citations · Full text

Natural Sciences, Chemical Engineering, Materials Science +17

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

Seyed Hossein Jamali, L. Wolff, Tim M. Becker et al. · Journal of Chemical Information and Modeling · 2019 · 118 citations · Full text

Natural Sciences, Chemical Engineering, Physics +16

Atomistic Molecular Dynamics Simulations of CO₂ Diffusivity in H₂O for a Wide Range of Temperatures and Pressures

Othonas A. Moultos, Ioannis N. Tsimpanogiannis, Athanassios Z. Panagiotopoulos et al. · The Journal of Physical Chemistry B · 2014 · 105 citations

Natural Sciences, Chemistry, Physics +17