Roger Rousseau

36PUBLICATIONS
84CO-AUTHORS
Computational modelling and simulation in earth sciencesMetal organic frameworksChemical and thermal processes in energy and combustionComputational chemistryTransition metal chemistry
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Publications (36)

|Oct 16, 2025
RANGE: A robust adaptive nature-inspired global explorer of potential energy surfaces.

Difan Zhang, Małgorzata Z Makoś, Roger Rousseau

|Jul 12, 2025
Interactions of Polar and Nonpolar Groups of Alcohols in Zeolite Pores.

Ruixue Zhao, Sungmin Kim, Mal-Soon Lee

|Jun 16, 2025
Computational Investigation of a CO2 Conversion Strategy via Diels-Alder Reaction in a Carbon Capture Solvent.

Difan Zhang, Melissa T Manetsch, Sarah I Allec

|Nov 22, 2024
Pairing a Global Optimization Algorithm with EXAFS to Characterize Lanthanide Structure in Solution.

Thomas J Summers, Difan Zhang, Josiane A Sobrinho

|Jun 26, 2024
Correction to "Coordination Sphere of Lanthanide Aqua Ions Resolved with Ab Initio Molecular Dynamics and X-ray Absorption Spectroscopy".

Richard C Shiery, John L Fulton, Mahalingam Balasubramanian

|Mar 11, 2024
Dynamic Copper Site Redispersion through Atom Trapping in Zeolite Defects.

Stephen C Purdy, Gregory Collinge, Junyan Zhang

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Frequent Collaborators

36 joint publications

Vassiliki-Alexandra Glezakou

13 joint publications

Mal-Soon Lee

8 joint publications

David C Cantu

7 joint publications

Manh-Thuong Nguyen