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Othonas Moultos
Othonas Moultos
Assistant Professor at TU Delft, Eng. Thermodynamics, Process & Energy, 3mE
Bestätigte E-Mail-Adresse bei tudelft.nl - Startseite
Titel
Zitiert von
Zitiert von
Jahr
Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies
IN Tsimpanogiannis, OA Moultos, LFM Franco, MBM Spera, M Erdős, ...
Molecular Simulation 45 (4-5), 425-453, 2019
962019
Finite-size effects of binary mutual diffusion coefficients from molecular dynamics
SH Jamali, L Wolff, TM Becker, A Bardow, TJH Vlugt, OA Moultos
Journal of chemical theory and computation 14 (5), 2667-2677, 2018
962018
System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol …
OA Moultos, Y Zhang, IN Tsimpanogiannis, IG Economou, EJ Maginn
The Journal of Chemical Physics 145 (7), 074109, 2016
902016
Atomistic Molecular Dynamics Simulations of CO2 Diffusivity in H2O for a Wide Range of Temperatures and Pressures
OA Moultos, IN Tsimpanogiannis, AZ Panagiotopoulos, IG Economou
The Journal of Physical Chemistry B 118 (20), 5532-5541, 2014
792014
Molecular simulation of thermodynamic and transport properties for the H2O+NaCl system
GA Orozco, OA Moultos, H Jiang, IG Economou, AZ Panagiotopoulos
The Journal of chemical physics 141 (23), 234507, 2014
592014
Thermodynamic and Transport Properties of H2O + NaCl from Polarizable Force Fields
H Jiang, Z Mester, OA Moultos, IG Economou, AZ Panagiotopoulos
Journal of chemical theory and computation 11 (8), 3802-3810, 2015
572015
Finite-size effects of diffusion coefficients computed from molecular dynamics: a review of what we have learned so far
AT Celebi, SH Jamali, A Bardow, TJH Vlugt, OA Moultos
Molecular Simulation 47 (10-11), 831-845, 2021
502021
Structural, thermodynamic, and transport properties of aqueous reline and ethaline solutions from molecular dynamics simulations
AT Celebi, TJH Vlugt, OA Moultos
The Journal of Physical Chemistry B 123 (51), 11014-11025, 2019
482019
Atomistic Molecular Dynamics Simulations of Carbon Dioxide Diffusivity in n-Hexane, n-Decane, n-Hexadecane, Cyclohexane, and Squalane
OA Moultos, IN Tsimpanogiannis, AZ Panagiotopoulos, JPM Trusler, ...
The Journal of Physical Chemistry B 120 (50), 12890-12900, 2016
472016
OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order-n Algorithm in LAMMPS
SH Jamali, L Wolff, TM Becker, M De Groen, M Ramdin, R Hartkamp, ...
Journal of Chemical Information and Modeling 59 (4), 1290-1294, 2019
422019
Self-diffusion coefficients of the binary (H2O+ CO2) mixture at high temperatures and pressures
OA Moultos, IN Tsimpanogiannis, AZ Panagiotopoulos, IG Economou
the Journal of Chemical thermodynamics 93, 424-429, 2016
412016
Computing solubility parameters of deep eutectic solvents from Molecular Dynamics simulations
HS Salehi, M Ramdin, OA Moultos, TJH Vlugt
Fluid Phase Equilibria 497, 10-18, 2019
402019
Molecular dynamics simulations of the diffusion coefficients of light n-alkanes in water over a wide range of temperature and pressure
VK Michalis, OA Moultos, IN Tsimpanogiannis, IG Economou
Fluid Phase Equilibria 407, 236-242, 2016
392016
The adsorption mechanisms of organic micropollutants on high-silica zeolites causing S-shaped adsorption isotherms: An experimental and Monte Carlo simulation study
N Jiang, M Erdős, OA Moultos, R Shang, TJH Vlugt, SGJ Heijman, ...
Chemical Engineering Journal 389, 123968, 2020
362020
Brownian dynamics simulations on the self-assembly behavior of AB hybrid dendritic− star copolymers
C Georgiadis, O Moultos, LN Gergidis, C Vlahos
Langmuir 27 (2), 835-842, 2011
352011
Hydrogen-bonding polarizable intermolecular potential model for water
H Jiang, OA Moultos, IG Economou, AZ Panagiotopoulos
The Journal of Physical Chemistry B 120 (48), 12358-12370, 2016
332016
Generalized form for finite-size corrections in mutual diffusion coefficients of multicomponent mixtures obtained from equilibrium molecular dynamics simulation
SH Jamali, A Bardow, TJH Vlugt, OA Moultos
Journal of chemical theory and computation 16 (6), 3799-3806, 2020
302020
Predictions of water/oil interfacial tension at elevated temperatures and pressures: A molecular dynamics simulation study with biomolecular force fields
KD Papavasileiou, OA Moultos, IG Economou
Fluid Phase Equilibria 476, 30-38, 2018
302018
On the transferability of ion parameters to the TIP4P/2005 water model using molecular dynamics simulations
MF Döpke, OA Moultos, R Hartkamp
The Journal of chemical physics 152 (2), 024501, 2020
292020
Shear viscosity computed from the finite-size effects of self-diffusivity in equilibrium molecular dynamics
SH Jamali, R Hartkamp, C Bardas, J Söhl, TJH Vlugt, OA Moultos
Journal of chemical theory and computation 14 (11), 5959-5968, 2018
292018
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