Research output per year
Research output per year
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Dive into the research topics where P. Habibi is active. These topic labels come from the works of this person. Together they form a unique fingerprint.
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Molecular Simulations for Hydrogen Storage and Production: From quantum to force field-based methods
Habibi, P., 2025, 199 p.Research output: Thesis › Dissertation (TU Delft)
Open AccessFile24 Downloads (Pure) -
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 AccessFile84 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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Effect of dissolved KOH and NaCl on the solubility of water in hydrogen: A Monte Carlo simulation study
Habibi, P., Dey, P., Vlugt, T. J. H. & Moultos, O. A., 2024, In: Journal of Chemical Physics. 161, 5, 10 p., 054304.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile30 Downloads (Pure) -
Solubilities and Self-Diffusion Coefficients of Light n-Alkanes in NaCl Solutions at the Temperature Range (278.15-308.15) K and Pressure Range (1-300) bar and Thermodynamics Properties of Their Corresponding Hydrates at (150-290) K and (1-7000) bar
Fang, B., Habibi, P., Moultos, O. A., Lü, T., Ning, F. & Vlugt, T. J. H., 2024, In: Journal of Chemical and Engineering Data. 69, 10, p. 3330-3346 17 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile2 Citations (Scopus)19 Downloads (Pure)
Datasets
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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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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
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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
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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