Research output per year
Research output per year
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Dive into the research topics where O. Moultos is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Densities, Viscosities, and Self-Diffusion Coefficients of Aqueous Mixtures of NaBH4, NaB(OH)4, and NaOH Using the BH4- Delft Force Field (DFF/BH4-)
Postma, J. R. T., Habibi, P., Dey, P., Vlugt, T. J. H., Moultos, O. A. & Padding, J. T., 2025, In: Journal of Chemical and Engineering Data. 70, 5, p. 1830-1842 13 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile19 Downloads (Pure) -
From Grotthuss Transfer to Conductivity: Machine Learning Molecular Dynamics of Aqueous KOH
Lagerweij, V. J., Bougueroua, S., Habibi, P., Dey, P., Gaigeot, M. P., Moultos, O. & Vlugt, T. J. H., 2025, In: The Journal of Physical Chemistry Part B (Biophysical Chemistry, Biomaterials, Liquids, and Soft Matter). 129, 24, p. 6093-6099 7 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile43 Downloads (Pure) -
Impact of finite-size effects on computed transport properties: a molecular dynamics study of dilute systems
Hulikal Chakrapani, T., Hajibeygi, H., Moultos, O. A. & Vlugt, T. J. H., 2025, In: Molecular Physics. 15 p., e2578408.Research output: Contribution to journal › Article › Scientific › peer-review
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Molecular insight into hydrogen storage in clathrate hydrates: The effect of different promoters on the spontaneous nucleation of hydrogen hydrates studied via microsecond-scale molecular dynamics simulations
Mi, F., Ning, F., Vlugt, T. J. H. & Moultos, O. A., 2025, In: Chemical Engineering Journal. 512, 10 p., 162253.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile16 Downloads (Pure) -
Thermodynamics 2024 Conference Delft, The Netherlands 4–6 September 2024
Moultos, O. A., Vlugt, T. J. H., Galindo, A. & Jackson, G., 2025, In: Molecular Physics. 7 p., e2578572.Research output: Contribution to journal › Editorial › Scientific
Datasets
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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), (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
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Monte Carlo Simulation Code to Perform Simulations in the combined Reaction and Gibbs Ensemble
(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
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Sample simulation files for "Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields"
(Creator), (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
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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
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Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study"
(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