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Collaborations and top research areas from the last five years
Profiles
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Coupling Solvation Thermodynamics and Chemical Speciation: A Simulation-Based Approach to NOx Uptake in Aqueous Environments
Saji, T. H. G., Vlugt, T. J. H., Calero, S. & Bagheri, B., 2026, In: Journal of Chemical Theory and Computation. 22, 1, p. 528-539 12 p.Research output: Contribution to journal › Article › Scientific › peer-review
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Direct Air Capture with Integrated Electrochemical Conversion through Combined Solid and Liquid Sorbents
Burgers, I. A. E., Nijssen, T. M. J., Feith, S., Kortlever, R. & Goetheer, E. L. V., 2026, In: ACS Sustainable Chemistry and Engineering. 14, 8, p. 3826-3833 8 p.Research output: Contribution to journal › Article › Scientific › peer-review
Open AccessFile1 Downloads (Pure) -
Electrical Conductivity Differences between Experiments and Classical Simulations Reveal Self-Diffusion Coefficients and Ion Lifetimes of Hydroxide and Hydronium in Aqueous Solutions
Lagerweij, V. J., Moultos, O. A. & Vlugt, T. J. H., 2026, In: The journal of physical chemistry. B. 130, 4, p. 1332-1345 14 p.Research output: Contribution to journal › Article › Scientific › peer-review
Datasets
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Kirkwood–Buff integrals of finite systems: geometric functions w(x)
Vlugt, T. J. H. (Creator), Dawass, N. (Creator), Krüger, P. (Contributor) & Simon, J. M. (Contributor), TU Delft - 4TU.ResearchData, 8 Mar 2018
DOI: 10.4121/UUID:9C897EF2-9DE0-433A-BDC4-ECABBC340D5B
Dataset/Software: Dataset
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Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble
Vlugt, T. J. H. (Creator), TU Delft - 4TU.ResearchData, 21 Apr 2016
DOI: 10.4121/UUID:14E501BC-2408-41BC-90D5-5F4588604849
Dataset/Software: Dataset
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Input data supporting: Atomistic understanding of cation exchange in PbS nanocrystals using simulations with pseudoligands
Vlugt, T. J. H. (Creator), Fan, Z. (Creator), van Huis, M. (Creator), Lin, L.-C. (Creator) & Buijs, W. J. (Creator), TU Delft - 4TU.ResearchData, 20 Apr 2016
DOI: 10.4121/UUID:7100A209-2407-42EA-B6E0-DCA5E821FC8D
Dataset/Software: Dataset
Prizes
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Open competition ENW-XS grant from NWO (Dutch organisation for scientific research)
Bazyar, H. (Recipient), 1 Mar 2022
Prize: Other distinction
Activities
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Towards the next generation of supported liquid membranes for CO2 capture
Bazyar, H. (Speaker)
1 Dec 2021Activity: Talk or presentation › Talk or presentation at a conference
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invited lecture: Reallocation of heat and cold by adsorptive heat pumps - Can MOFs replace existing sorbents?
Kapteijn, F. (Speaker)
2015 → …Activity: Talk or presentation › Talk or presentation at a conference
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Invited lecture: Analysis of the nitrogen adsorption technique to characterize porous materials
Vlugt, T. J. H. (Invited speaker)
2015Activity: Talk or presentation › Talk or presentation at a workshop, seminar, course or other meeting
Press/Media
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Young engineers and researchers take centre stage at natural refrigerants conference
Wang, M.
7/09/18
1 Media contribution
Press/Media: Public Engagement
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