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
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Accurate Free Energies of Aqueous Electrolyte Solutions from Molecular Simulations with Non-polarizable Force Fields
Habibi, P., Polat, H. M., Blazquez, S., Vega, C., Dey, P., Vlugt, T. J. H. & Moultos, O., 2024, In: The Journal of Physical Chemistry Letters. 15, 16, p. 4477-4485 9 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile -
Application of thermodynamics at different scales to describe the behaviour of fast reacting binary mixtures in vapour-liquid equilibrium
Lasala, S., Samukov, K., Polat, H. M., Lachet, V., Herbinet, O., Privat, R., Jaubert, J. N., Moultos, O. A., De Ras, K. & J. H. Vlugt, T., 2024, In: Chemical Engineering Journal. 483, 15 p., 148961.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile1 Citation (Scopus)97 Downloads (Pure) -
Calculating Thermodynamic Factors for Diffusion Using the Continuous Fractional Component Monte Carlo Method
Hulikal Chakrapani, T., Hajibeygi, H., Moultos, O. A. & Vlugt, T. J. H., 2024, In: Journal of chemical theory and computation. 20, 1, p. 333-347 15 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile1 Citation (Scopus)111 Downloads (Pure) -
Computational Exploration of Adsorption-Based Hydrogen Storage in Mg-Alkoxide Functionalized Covalent-Organic Frameworks (COFs): Force-Field and Machine Learning Models
Chen, Y., Zhao, G., Yoon, S., Habibi, P., Seop Hong, C., Li, S., Moultos, O., Dey, P., Vlugt, T. J. H. & Chung, Y. G., 2024, In: ACS applied materials & interfaces. 16, 45, p. 61995-62009 15 p.Research output: Contribution to journal › Article › Scientific › peer-review
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Diffusivity of CO2 in H2O: A Review of Experimental Studies and Molecular Simulations in the Bulk and in Confinement
Polat, H. M., Coelho, F. M., Vlugt, T. J. H., Mercier Franco, L. F., Tsimpanogiannis, I. N. & Moultos, O. A., 2024, In: Journal of Chemical and Engineering Data. 69, 10, p. 3296-3329 34 p.Research output: Contribution to journal › Review article › peer-review
Open AccessFile3 Citations (Scopus)77 Downloads (Pure)
Datasets
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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
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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
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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
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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
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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