Othonas A Moultos (O A Moultos)

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 40

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. B

The journal of physical chemistry letters

Industrial & engineering chemistry research

Technische Universiteit Delft

University of Ioannina School of Natural Sciences (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Technische Universiteit Delft Nov 15 2016

Netherlands

Assistant Professor :: Mechanical, Maritime and Materials

Texas A&M University at Qatar

Qatar

Assistant Research Scientist :: Chemical Engineering

Texas A&M University at Qatar

Qatar

Postdoctoral Research Associate :: Chemical Engineering

Princeton University May 01 2014 - Jul 31 2014

United States

Visiting Postdoctoral Research Associate :: Chemical and Biological Engineering

Education History

University of Ioannina School of Natural Sciences

Greece

PHD :: Chemistry

Publications

Parsa Habibi, H Mert Polat, Samuel Blazquez, Carlos Vega, Poulumi Dey, Thijs J H Vlugt, Othonas A Moultos
Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields. The journal of physical chemistry letters (2024)
Parsa Habibi, H Mert Polat, Samuel Blazquez, Carlos Vega, Poulumi Dey, Thijs J H Vlugt, Othonas A Moultos
Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields. The journal of physical chemistry letters 15 (16) (2024)
Thejas Hulikal Chakrapani, Hadi Hajibeygi, Othonas A Moultos, Thijs J H Vlugt
Mutual Diffusivities of Mixtures of Carbon Dioxide and Hydrogen and Their Solubilities in Brine: Insight from Molecular Simulations. Industrial & engineering chemistry research 63 (23) (2024)
Parsa Habibi, H Mert Polat, Samuel Blazquez, Carlos Vega, Poulumi Dey, Thijs J H Vlugt, Othonas A Moultos
Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields. The journal of physical chemistry letters 15 (16) (2024)
Thejas Hulikal Chakrapani, Hadi Hajibeygi, Othonas A Moultos, Thijs J H Vlugt
Mutual Diffusivities of Mixtures of Carbon Dioxide and Hydrogen and Their Solubilities in Brine: Insight from Molecular Simulations. Industrial & engineering chemistry research 63 (23) (2024)
Parsa Habibi, H Mert Polat, Samuel Blazquez, Carlos Vega, Poulumi Dey, Thijs J H Vlugt, Othonas A Moultos
Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields. The journal of physical chemistry letters 15 (16) (2024)
Thejas Hulikal Chakrapani, Hadi Hajibeygi, Othonas A Moultos, Thijs J H Vlugt
Calculating Thermodynamic Factors for Diffusion Using the Continuous Fractional Component Monte Carlo Method. Journal of chemical theory and computation 20 (1) (2023)
Thejas Hulikal Chakrapani, Hadi Hajibeygi, Othonas A Moultos, Thijs J H Vlugt
Calculating Thermodynamic Factors for Diffusion Using the Continuous Fractional Component Monte Carlo Method. Journal of chemical theory and computation 20 (1) (2023)
Christos Gioldasis, Apostolos Gkamas, Othonas A Moultos, Costas Hristos Vlahos
Chemical Feedback in Templated Reaction-Assembly of Polyelectrolyte Complex Micelles: A Molecular Simulation Study of the Kinetics and Clustering. Polymers 15 (14) (2023)
Thejas Hulikal Chakrapani, Hadi Hajibeygi, Othonas A Moultos, Thijs J H Vlugt
Calculating Thermodynamic Factors for Diffusion Using the Continuous Fractional Component Monte Carlo Method. Journal of chemical theory and computation (2023)
W A van Rooijen, P Habibi, K Xu, Poulumi Dey, Thijs J H Vlugt, H Hajibeygi, Othonas A Moultos
Interfacial Tensions, Solubilities, and Transport Properties of the H 2 /H 2 O/NaCl System: A Molecular Simulation Study. Journal of chemical and engineering data 69 (2) (2023)
Thejas Hulikal Chakrapani, Hadi Hajibeygi, Othonas A Moultos, Thijs J H Vlugt
Calculating Thermodynamic Factors for Diffusion Using the Continuous Fractional Component Monte Carlo Method. Journal of chemical theory and computation 20 (1) (2023)
Samuel Blazquez, Jose Luis F Abascal, Jelle Lagerweij, Parsa Habibi, Poulumi Dey, Thijs J H Vlugt, Othonas A Moultos, Carlos Vega
Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property. Journal of chemical theory and computation (2023)
W A van Rooijen, P Habibi, K Xu, Poulumi Dey, Thijs J H Vlugt, H Hajibeygi, Othonas A Moultos
Interfacial Tensions, Solubilities, and Transport Properties of the H 2 /H 2 O/NaCl System: A Molecular Simulation Study. Journal of chemical and engineering data 69 (2) (2023)
H Mert Polat, Frédérick de Meyer, Céline Houriez, Othonas A Moultos, Thijs J H Vlugt
Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software. Journal of chemical theory and computation (2023)
Eleni Ntone, Benjamin Rosenbaum, Simha Sridharan, Stan B J Willems, Othonas A Moultos, Thijs J H Vlugt, Marcel B J Meinders, Leonard M C Sagis, Johannes Hendrik Bitter, Constantinos V Nikiforidis
The dilatable membrane of oleosomes (lipid droplets) allows their in vitro resizing and triggered release of lipids. Soft matter (2023)
Noura Dawass, Jilles Langeveld, Mahinder Ramdin, Elena Pérez-Gallent, Angel A Villanueva, Erwin J M Giling, Jort Langerak, Leo J P van den Broeke, Thijs J H Vlugt, Othonas A Moultos
Solubilities and Transport Properties of CO 2 , Oxalic Acid, and Formic Acid in Mixed Solvents Composed of Deep Eutectic Solvents, Methanol, and Propylene Carbonate. The journal of physical chemistry. B 126 (19) (2022)
Hanieh Bazyar, Othonas A Moultos, Rob G H Lammertink
A review on nature-inspired gating membranes: From concept to design and applications. The Journal of chemical physics 157 (14) (2022)
Parsa Habibi, Ahmadreza Rahbari, Samuel Blazquez, Carlos Vega, Poulumi Dey, Thijs J H Vlugt, Othonas A Moultos
A New Force Field for OH - for Computing Thermodynamic and Transport Properties of H 2 and O 2 in Aqueous NaOH and KOH Solutions. The journal of physical chemistry. B 126 (45) (2022)
Ahmadreza Rahbari, Remco Hartkamp, Othonas A Moultos, Albert Bos, Leo J P van den Broeke, Mahinder Ramdin, David Dubbeldam, Alexey V Lyulin, Thijs J H Vlugt
Electro-osmotic Drag and Thermodynamic Properties of Water in Hydrated Nafion Membranes from Molecular Dynamics. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (18) (2022)
Vera Boor, Jeannine E B M Frijns, Elena Pérez-Gallent, Erwin Giling, Antero T Laitinen, Earl L V Goetheer, Leo J P van den Broeke, Ruud Kortlever, Wiebren de Jong, Othonas A Moultos, Thijs J H Vlugt, Mahinder Ramdin
Electrochemical Reduction of CO 2 to Oxalic Acid: Experiments, Process Modeling, and Economics. Industrial & engineering chemistry research 61 (40) (2022)
Dominika O Wasik, H Mert Polat, Mahinder Ramdin, Othonas A Moultos, Sofía Calero, Thijs J H Vlugt
Solubility of CO 2 in Aqueous Formic Acid Solutions and the Effect of NaCl Addition: A Molecular Simulation Study. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (45) (2022)
Alper Tunga Celebi, Noura Dawass, Othonas A Moultos, Thijs J H Vlugt
How sensitive are physical properties of choline chloride-urea mixtures to composition changes: Molecular dynamics simulations and Kirkwood-Buff theory. The Journal of chemical physics 154 (18) (2021)
Ahmadreza Rahbari, Julio C Garcia-Navarro, Mahinder Ramdin, Leo J P van den Broeke, Othonas A Moultos, David Dubbeldam, Thijs J H Vlugt
Effect of Water Content on Thermodynamic Properties of Compressed Hydrogen. Journal of chemical and engineering data 66 (5) (2021)
Parsa Habibi, Thijs J H Vlugt, Poulumi Dey, Othonas A Moultos
Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide. ACS applied materials & interfaces 13 (36) (2021)
H Mert Polat, Hirad S Salehi, Remco Hens, Dominika O Wasik, Ahmadreza Rahbari, Frédérick de Meyer, Céline Houriez, Christophe Coquelet, Sofía Calero, David Dubbeldam, Othonas A Moultos, Thijs J H Vlugt
New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves. Journal of chemical information and modeling 61 (8) (2021)
Hirad S Salehi, Othonas A Moultos, Thijs J H Vlugt
Interfacial Properties of Hydrophobic Deep Eutectic Solvents with Water. The journal of physical chemistry. B 125 (44) (2021)
Máté Erdős, Daan F Geerdink, Ana Martin-Calvo, Evgeny A Pidko, Leo J P van den Broeke, Sofía Calero, Thijs J H Vlugt, Othonas A Moultos
In Silico Screening of Zeolites for High-Pressure Hydrogen Drying. ACS applied materials & interfaces 13 (7) (2021)
Mahinder Ramdin, Bert De Mot, Andrew R T Morrison, Tom Breugelmans, Leo J P van den Broeke, J P Martin Trusler, Ruud Kortlever, Wiebren de Jong, Othonas A Moultos, Penny Xiao, Paul A Webley, Thijs J H Vlugt
Electroreduction of CO 2 /CO to C 2 Products: Process Modeling, Downstream Separation, System Integration, and Economic Analysis. Industrial & engineering chemistry research 60 (49) (2021)
Máté Erdős, Remco Hartkamp, Thijs J H Vlugt, Othonas A Moultos
Inclusion Complexation of Organic Micropollutants with β-Cyclodextrin. The journal of physical chemistry. B 124 (7) (2020)
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
Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method. Journal of chemical information and modeling 60 (6) (2020)
Seyed Hossein Jamali, Andre Bardow, Thijs J H Vlugt, Othonas A Moultos
Generalized Form for Finite-Size Corrections in Mutual Diffusion Coefficients of Multicomponent Mixtures Obtained from Equilibrium Molecular Dynamics Simulation. Journal of chemical theory and computation 16 (6) (2020)
Max F Döpke, Othonas A Moultos, Remco Hartkamp
On the transferability of ion parameters to the TIP4P/2005 water model using molecular dynamics simulations. The Journal of chemical physics 152 (2) (2020)
Ahmadreza Rahbari, Remco Hens, Othonas A Moultos, David Dubbeldam, Thijs J H Vlugt
Multiple Free Energy Calculations from Single State Point Continuous Fractional Component Monte Carlo Simulation Using Umbrella Sampling. Journal of chemical theory and computation 16 (3) (2020)
Alper Tunga Celebi, Thijs J H Vlugt, Othonas A Moultos
Structural, Thermodynamic, and Transport Properties of Aqueous Reline and Ethaline Solutions from Molecular Dynamics Simulations. The journal of physical chemistry. B 123 (51) (2019)
Seyed Hossein Jamali, Ludger Wolff, Tim M Becker, Mariëtte de Groen, Mahinder Ramdin, Remco Hartkamp, Andre Bardow, Thijs J H Vlugt, Othonas A Moultos
OCTP: A Tool for On-the-Fly Calculation of Transport Properties of Fluids with the Order- n Algorithm in LAMMPS. Journal of chemical information and modeling 59 (4) (2019)
Seyed Hossein Jamali, Ludger Wolff, Tim M Becker, Andre Bardow, Thijs J H Vlugt, Othonas A Moultos
Finite-Size Effects of Binary Mutual Diffusion Coefficients from Molecular Dynamics. Journal of chemical theory and computation 14 (5) (2018)
Máté Erdős, Martijn F de Lange, Freek Kapteijn, Othonas A Moultos, Thijs J H Vlugt
In Silico Screening of Metal-Organic Frameworks for Adsorption-Driven Heat Pumps and Chillers. ACS applied materials & interfaces 10 (32) (2018)
Seyed Hossein Jamali, Thijs van Westen, Othonas A Moultos, Thijs J H Vlugt
Optimizing Nonbonded Interactions of the OPLS Force Field for Aqueous Solutions of Carbohydrates: How to Capture Both Thermodynamics and Dynamics. Journal of chemical theory and computation 14 (12) (2018)
Seyed Hossein Jamali, Remco Hartkamp, Christos Bardas, Jakob Söhl, Thijs J H Vlugt, Othonas A Moultos
Shear Viscosity Computed from the Finite-Size Effects of Self-Diffusivity in Equilibrium Molecular Dynamics. Journal of chemical theory and computation 14 (11) (2018)

Othonas A Moultos.css-eqlu8i{font-size:small;padding-left:4px;} (O A Moultos)

Publication Activity (10 Years)

Top Topics

Top Venues

Othonas A Moultos (O A Moultos)