Thijs J H Vlugt

66PUBLICATIONS
98CO-AUTHORS
Electronic and magnetic properties of condensed matter; superconductivityPhysical properties of materialsGroundwater quality processes and contaminated land assessmentElectrochemical energy storage and conversionEcohydrology
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Publications (66)

|Sep 12, 2026
Machine Learning-Based Prediction of Phase Equilibria and Interfacial Properties of Multicomponent CO2 Mixtures with Impurities: Application to CO2 Transportation.

|Jul 18, 2026
Inclusion Complexation of Native and Functionalized α-, β-, and γ-Cyclodextrins with PFAS: An Experimental and Molecular Simulation Study.

|Apr 24, 2026
Predicting Absorption and Diffusion of Plasma-Generated O(3P), O(1D), and Other RONS in Aqueous Environments Using Molecular Simulations.

|Feb 04, 2026
Electrochemical CO2 Reduction in the Presence of SO2 Impurities on a Nitrogen-Doped Carbon Electrocatalyst.

Shilong Fu, Bowen Sha, Asvin Sajeev

|Jan 20, 2026
Electrical Conductivity Differences between Experiments and Classical Simulations Reveal Self-Diffusion Coefficients and Ion Lifetimes of Hydroxide and Hydronium in Aqueous Solutions.

V Jelle Lagerweij, Othonas A Moultos, Thijs J H Vlugt

|Dec 29, 2025
Coupling Solvation Thermodynamics and Chemical Speciation: A Simulation-Based Approach to NOx Uptake in Aqueous Environments.

Tijin H G Saji, Thijs J H Vlugt, Sofia Calero

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Frequent Collaborators

40 joint publications

Othonas A Moultos

14 joint publications

Mahinder Ramdin

13 joint publications

David Dubbeldam

12 joint publications

Sofia Calero