Othonas Moultos
Othonas Moultos
Assistant Professor at TU Delft, Eng. Thermodynamics, Process & Energy, 3mE
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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
462015
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
442014
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
422014
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
342018
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
322011
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
312016
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
272016
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
262016
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
252016
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
232016
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
212019
Gaussian-Charge Polarizable and Nonpolarizable Models for CO2
H Jiang, OA Moultos, IG Economou, AZ Panagiotopoulos
The Journal of Physical Chemistry B 120 (5), 984-994, 2016
212016
Atomistic molecular dynamics simulations of H2O diffusivity in liquid and supercritical CO2
OA Moultos, GA Orozco, IN Tsimpanogiannis, AZ Panagiotopoulos, ...
Molecular Physics 113 (17-18), 2805-2814, 2015
212015
Brownian Dynamics Simulations on Self-Assembly Behavior of H-Shaped Copolymers and Terpolymers.
O Moultos, LN Gergidis, C Vlahos
Macromolecules 43 (16), 6903-6911, 2010
172010
In Silico Screening of Metal–Organic Frameworks for Adsorption-Driven Heat Pumps and Chillers
M Erdős, MF de Lange, F Kapteijn, OA Moultos, TJH Vlugt
ACS applied materials & interfaces 10 (32), 27074-27087, 2018
142018
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
132019
Computation of partial molar properties using continuous fractional component Monte Carlo
A Rahbari, R Hens, IK Nikolaidis, A Poursaeidesfahani, M Ramdin, ...
Molecular Physics 116 (21-22), 3331-3344, 2018
132018
Micellization Properties of Θ-Shaped, Figure-Eight-Shaped and Linked Rings Copolymers
A Kalogirou, OA Moultos, LN Gergidis, C Vlahos
Macromolecules 47 (16), 5851-5859, 2014
102014
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
92018
Off lattice Monte Carlo simulations of AB hybrid dendritic star copolymers
LN Gergidis, O Moultos, C Georgiadis, M Kosmas, C Vlahos
Polymer 50 (1), 328-335, 2009
92009
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Artículos 1–20