Othonas A Moultos

43PUBLICATIONS
62CO-AUTHORS
Physical properties of materialsElectrochemical energy storage and conversionEcohydrologyChemical and thermal processes in energy and combustionComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (43)

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

|Jun 26, 2026
Evaluating Molecular Representations for Predicting Cyclodextrin-PFAS Binding Energy with Machine Learning: Domain Transfer and Data Limitations.

|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 10, 2025
Molecular Simulation of Hydrogen Systems: From Properties and Methods to Applications and Future Directions.

Ahmadreza Rahbari, Thejas Hulikal Chakrapani, Fei Shuang

|Jun 09, 2025
From Grotthuss Transfer to Conductivity: Machine Learning Molecular Dynamics of Aqueous KOH.

V Jelle Lagerweij, Sana Bougueroua, Parsa Habibi

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Frequent Collaborators

40 joint publications

Thijs J H Vlugt

9 joint publications

Mahinder Ramdin

8 joint publications

Poulumi Dey

7 joint publications

Ahmadreza Rahbari