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Thijs J. H. Vlugt

delft university of technology

73H-index
434Paper Count
2.0WCitation Count
Published Papers 209
Publication Date
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Computational investigation of xylene isomers separation via diffusion and adsorption in metal-organic frameworks
errSeparation and Purification Technology
IF9
err2026-07-13
err0
errOAAI
errMikhail Suyetin; Thijs J.H. Vlugt
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Predicting Absorption and Diffusion of Plasma-Generated O(3P), O(1D), and Other RONS in Aqueous Environments Using Molecular Simulations
errJournal of Physical Chemistry B
IF2.9
err2026-04-01
err0
PREAI
errSaji, Tijin H. G.; Vlugt, Thijs J. H.; Calero, Sofia; Bagheri, Behnaz
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Predicting the Maximum Loading in Zeolites for Hydroisomerization Applications: A Machine Learning Approach
errThe Journal of Physical Chemistry C
IF3.2
err2026-03-10
err0
PREAI
errEric Johnsson; Shrinjay Sharma; Arvind Gangoli Rao; David Dubbeldam; Sofia Calero; Thijs J. H. Vlugt
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Vapor–Liquid Interfacial Properties of CO2 Mixtures for Sequestration Applications: Molecular Simulations; Classical Density Functional Theory; and Equations of State
errIndustrial and Engineering Chemistry Research
IF3.9
err2026-03-02
err0
PREAI
errDarshan Raju; Roar Skartlien; Mahinder Ramdin; Thijs J. H. Vlugt
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Electrochemical CO2 Reduction in the Presence of SO2 Impurities on a Nitrogen-Doped Carbon Electrocatalyst
errJournal of the American Chemical Society
IF15.6
err2026-02-04
err0
errOAAI
errShilong Fu; Bowen Sha; Asvin Sajeev; Ming Li; Thijs J. H. Vlugt; Othonas A. Moultos; Wiebren de Jong; Ruud Kortlever
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Liquid–Liquid Extraction of Acetic Acid with 2-Methyltetrahydrofuran: Experiments; Process Modeling; and Economics
errIndustrial & Engineering Chemistry Research
IF0
err2026-01-20
err0
PREAI
errAntero T. Laitinen; Vyomesh M. Parsana; Priyank Khirsariya; Olli Jauhiainen; Marco Huotari; Juha-Pekka Pokki; Thijs J. H. Vlugt; Mahinder Ramdin
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Electrical Conductivity Differences between Experiments and Classical Simulations Reveal Self-Diffusion Coefficients and Ion Lifetimes of Hydroxide and Hydronium in Aqueous Solutions
errThe Journal of Physical Chemistry B
IF2.9
err2026-01-20
err0
PREAI
errV. Jelle Lagerweij; Othonas A. Moultos; Thijs J.H. Vlugt
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Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions
errCHEMICAL REVIEWS
IF55.8
err2025-12-01
err1
PREAI
errRahbari, Ahmadreza; Chakrapani, Thejas Hulikal; Shuang, Fei; Krokidas, Panagiotis; Habibi, Parsa; Lagerweij, V. Jelle; Ramdin, Mahinder; Vlugt, Thijs J. H.; Hajibeygi, Hadi; Dey, Poulumi; Tsimpanogiannis, Ioannis N.; Moultos, Othonas A.
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Thermodynamics 2024 Conference Delft, The Netherlands 4-6 September 2024
errMOLECULAR PHYSICS
IF1.8
err2025-11-01
err0
PREAI
errMoultos, Othonas A.; Vlugt, Thijs J. H.; Galindo, Amparo; Jackson, George
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Optimizing Mixtures of Metal-Organic Frameworks for Robust and Bespoke Passive Atmospheric Water Harvesting
errACS ENGINEERING AU
IF5.1
err2025-11-01
err0
PREAI
errHarriman, Charles; Ke, Qia; Vlugt, Thijs J. H.; Howarth, Ashlee J.; Simon, Cory M.
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Matching pure and mixture isotherms using an invertible autoencoder
errMOLECULAR PHYSICS
IF1.8
err2025-10-01
err0
PREAI
errRan, Y. A.; Calero, S.; Vlugt, T. J. H.; Dubbeldam, D.
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Second-order group contribution method for Tc, Pc, ω, ΔGf0, ΔHf0 and liquid densities of linear and branched alkanes
errMOLECULAR PHYSICS
IF1.8
err2025-10-01
err0
PREAI
errLi, Ziyan; Constantinou, Leonidas; Baur, Richard; Dubbeldam, David; Calero, Sofia; Sharma, Shrinjay; Rigutto, Marcello; Dey, Poulumi; Vlugt, Thijs J. H.
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Review of group contribution methods for prediction of thermodynamic properties of long-chain hydrocarbons
errMOLECULAR PHYSICS
IF1.8
err2025-09-01
err0
PREAI
errLi, Ziyan; Constantinou, Leonidas; Baur, Richard; Dubbeldam, David; Calero, Sofia; Sharma, Shrinjay; Rigutto, Marcello; Dey, Poulumi; Vlugt, Thijs J. H.
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The RASPA2024 workshop in Delft, The Netherlands
errMOLECULAR PHYSICS
IF1.8
err2025-09-01
err1
PREAI
errDubbeldam, David; Calero, Sofia; Snurr, Randall Q.; Vlugt, Thijs J. H.
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Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2025-09-01
err0
PREAI
errSharma, Shrinjay; Yang, Ping; Liu, Yachan; Rossi, Kevin; Bai, Peng; Rigutto, Marcello S.; Zuidema, Erik; Agarwal, Umang; Baur, Richard; Calero, Sofia; Dubbeldam, David; Vlugt, Thijs J. H.
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Techno-economic analysis of catalytic methane pyrolysis in a fluidized bed reactor with reactor-scale catalyst deactivation modeling
errChemical Engineering Journal
IF13.2
err2025-08-19
err0
errOAAI
errP.B. Tamarona; T.M.J. Nijssen; T.J.H. Vlugt; M. Ramdin
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Vapor-liquid equilibrium, thermodynamic properties, process simulation and economic evaluation of CPME and methanol system
errAICHE JOURNAL
IF4
err2025-05-03
err0
PREAI
errJoshi, K; Parsana, VM; Khirsariya, P; Ramdin, M; Vlugt, TJH
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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
errCHEMICAL ENGINEERING JOURNAL
IF13.2
err2025-05-01
err0
errOAAI
errMi, Fengyi; Ning, Fulong; Vlugt, Thijs J. H.; Moultos, Othonas A.
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TAMOF-1 for capture and separation of the main flue gas components
errJOURNAL OF MATERIALS CHEMISTRY A
IF9.5
err2025-01-01
err0
errOAAI
errGooijer, S.; Capelo-Aviles, S.; Sharma, S.; Giancola, S.; Galan-Mascaros, J. R.; Vlugt, T. J. H.; Dubbeldam, D.; Vicent-Luna, J. M.; Calero, S.
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Novel pseudo-hexagonal montmorillonite model and microsecond MD simulations of hydrate formation in mixed clay sediments with surface defects
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-12-03
err1
errOAAI
errMi, Fengyi; Pang, Jiangtao; Li, Wei; Moultos, Othonas A.; Ning, Fulong; Vlugt, Thijs J. H.
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Research Directions

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Co-authors
Cooperation Journals
R
Rajamani Krishna
H-index: 128 · Papers: 888
F
Freek Kapteijn
H-index: 121 · Papers: 841
B
Berend Smit
H-index: 121 · Papers: 794
R
Randall Q. Snurr
H-index: 116 · Papers: 647
E
Emiel J. M. Hensen
H-index: 114 · Papers: 805
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