O. Moultos

Search results

• Sample simulation files for 'New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves'

  Polat, H. M. (Creator), Vlugt, T. J. H. (Creator), Moultos, O. (Creator), Seyed Salehi, H. (Creator), Hens, R. (Creator), Rahbari, A. (Creator), Wasik, D. O. (Creator), De Meyer, F. (Creator), Houriez, C. (Creator), Coquelet, C. (Creator), Calero, S. (Creator) & Dubbeldam, D. (Creator), TU Delft - 4TU.ResearchData, 12 May 2022

  DOI: 10.4121/19738834

  Dataset/Software: Dataset

• Sample simulation files for "Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study"

  Polat, H. M. (Creator), Vlugt, T. J. H. (Creator), Moultos, O. (Creator), De Meyer, F. (Creator), Houriez, C. (Creator) & Coquelet, C. (Creator), TU Delft - 4TU.ResearchData, 21 Feb 2023

  DOI: 10.4121/22015112

  Dataset/Software: Dataset

• Sample files for "Thermodynamic and Transport Properties of H2/H2O/NaB(OH)4 Mixtures Using the Delft Force Field (DFF/B(OH)4–)"

  Habibi, P. (Creator), Postma, J. R. T. (Creator), Padding, J. T. (Creator), Dey, P. (Creator), Vlugt, T. J. H. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 22 Sept 2023

  DOI: 10.4121/55E208E7-32EA-4BEB-9234-596086884092

  Dataset/Software: Dataset

• Sample simulation files for "A New Force Field for OH⁻ for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions"

  Habibi, P. (Creator), Rahbari, A. (Creator), Blazquez, S. (Creator), Vega, C. (Creator), Dey, P. (Creator), Vlugt, T. J. H. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 1 Feb 2023

  DOI: 10.4121/21941327

  Dataset/Software: Dataset

• Monte Carlo Simulation Code to Perform Simulations in the combined Reaction and Gibbs Ensemble

  Polat, H. M. (Creator), Vlugt, T. J. H. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 22 Nov 2023

  DOI: 10.4121/a3ecbf66-624a-4dde-ae50-de951bc2a069

  Dataset/Software: Dataset

• Sample simulation files for "Interfacial Tensions, Solubilities, and Transport Properties of the H₂/H₂O/NaCl System: A Molecular Simulation Study"

  van Rooijen, W. A. (Creator), Habibi, P. (Creator), Dey, P. (Creator), Vlugt, T. J. H. (Creator), Hajibeygi, H. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 8 Mar 2023

  DOI: 10.4121/22211650

  Dataset/Software: Dataset

• Data Repositories for the PhD Thesis "Molecular Simulations of Acid Gas Absorption into Aqueous Solvents"

  Polat, H. M. (Creator), Vlugt, T. J. H. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 28 Mar 2024

  DOI: 10.4121/ab2f1796-9f8c-4180-aa22-22562ae4827e

  Dataset/Software: Dataset

• Sample simulation files for "Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields"

  Habibi, P. (Creator), Polat, H. M. (Creator), Blazquez, S. (Creator), Vega, C. (Creator), Dey, P. (Creator), Vlugt, T. J. H. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 25 Apr 2024

  DOI: 10.4121/00da62fc-9204-435c-a627-1ba2bde58bc1

  Dataset/Software: Dataset

• Sample simulation files for "Effect of dissolved KOH and NaCl on the solubility of water in hydrogen: A Monte Carlo simulation study"

  Habibi, P. (Creator), Vlugt, T. J. H. (Creator), Dey, P. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 8 Aug 2024

  DOI: 10.4121/79ef09f1-b5c4-45ff-8bc7-648426be6e7b

  Dataset/Software: Dataset

• Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study"

  Polat, H. M. (Creator), De Meyer, F. (Creator), Houriez, C. (Creator), van der Geest, C. (Creator), Moultos, O. (Creator) & Vlugt, T. J. H. (Creator), TU Delft - 4TU.ResearchData, 16 Oct 2023

  DOI: 10.4121/FB612F4E-9D6C-407D-A8D3-A12C208A32D2

  Dataset/Software: Dataset

• Data underlying the publication: Diffusivity of CO2 in H2O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement

  Polat, H. M. (Creator), Moultos, O. (Creator) & Vlugt, T. J. H. (Creator), TU Delft - 4TU.ResearchData, 28 Mar 2024

  DOI: 10.4121/f7b504ab-b5da-4603-9619-ec77b9c46a54

  Dataset/Software: Dataset

• Sample simulation files for "Hydrogen Dissociation in Li-Decorated 2D Boron-Hydride and Borophene: An Ab-Initio Study"

  Habibi, P. (Creator), Vlugt, T. J. H. (Creator), Moultos, O. (Creator) & Dey, P. (Creator), TU Delft - 4TU.ResearchData, 22 Mar 2022

  DOI: 10.4121/19391960

  Dataset/Software: Dataset

• Sample simulation files underlying the publication: Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property

  Blazquez, S. (Creator), Abascal, J. L. F. (Creator), Lagerweij, J. (Creator), Habibi, P. (Creator), Dey, P. (Creator), Vlugt, T. J. H. (Creator), Moultos, O. (Creator) & Vega, C. (Creator), TU Delft - 4TU.ResearchData, 24 Aug 2023

  DOI: 10.4121/B9260A5E-8A11-4EFD-822A-E244E0F7798B

  Dataset/Software: Dataset

• Sample simulation files for: "Solving Chemical Absorption Equilibria using Free Energy and Quantum Chemistry Calculations: Methodology, Limitations, and New Open-Source Software"

  Polat, H. M. (Creator), De Meyer, F. (Creator), Houriez, C. (Creator), Moultos, O. (Creator) & Vlugt, T. J. H. (Creator), TU Delft - 4TU.ResearchData, 17 Aug 2023

  DOI: 10.4121/F30869D9-1300-4DAE-AED8-DA8992DA6976

  Dataset/Software: Dataset

• Sample simulation files for "Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide"

  Habibi, P. (Creator), Vlugt, T. J. H. (Creator), Dey, P. (Creator) & Moultos, O. (Creator), TU Delft - 4TU.ResearchData, 22 Mar 2022

  DOI: 10.4121/19391945

  Dataset/Software: Dataset