Vincent Dufour-Décieux

5PUBLICATIONS
13CO-AUTHORS
Functional materialsElectrochemical energy storage and conversionChemical thermodynamics and energeticsReaction kinetics and dynamicsComputational chemistry
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Publications (5)

|Aug 26, 2026
Fast process-level screening of metal-organic frameworks for adsorption separation using 3D classical density functional theory.

|Feb 05, 2026
Efficient Prediction of Multicomponent Adsorption Isotherms and Enthalpies of Adsorption in MOFs Using Classical Density Functional Theory.

Nadine Thiele, Tiong Wei Teh, Benjamin Bursik

|Jan 14, 2023
Predicting molecule size distribution in hydrocarbon pyrolysis using random graph theory.

Vincent Dufour-Décieux, Christopher Moakler, Evan J Reed

|Nov 18, 2022
Temperature Extrapolation of Molecular Dynamics Simulations of Complex Chemistry to Microsecond Timescales Using Kinetic Models: Applications to Hydrocarbon Pyrolysis.

Vincent Dufour-Décieux, Brandi Ransom, Austin D Sendek

|May 11, 2021
Atomic-Level Features for Kinetic Monte Carlo Models of Complex Chemistry from Molecular Dynamics Simulations.

Vincent Dufour-Décieux, Rodrigo Freitas, Evan J Reed

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Frequent Collaborators

2 joint publications

Marcel Granderath

2 joint publications

Philipp Rehner

2 joint publications

Joachim Gross

2 joint publications

André Bardow