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Alex, Ismael, and Shyam traveled to Calgary to attend and present at the 105th Canadian Chemistry Conference and Exhibition: Diversity and Innovation in Chemistry (CCCE2022)  June 13-17, 2022. Alex co-organizes (with Stijn De Baerdemacker, University of New Brunswick and Joshua Hollett, University of Winnipeg) a symposium “Advances in Theoretical and Computational Chemistry (Quantum Chemistry)” and contributes a talk “Adaptive Fitting of Potential Energy Surfaces of Small to Medium-Sized Molecules in Sum-of-Product Form: Application to Vibrational Spectroscopy.” Shyam gives a talk “Uncovering Inter- and Intramolecular Coupling at the Silica/Water Interface” as well as presents a poster “Influence of the Excitation Wavelength on the Computation of First Order Hyperpolarizabilities using Optimally Gap Tuned Range Separated Hybrid Functionals.” Ismael gives a talk “A Quantum-Chemical Study of Degenerate and Non-Degenerate Two-Photon Absorption of Coumarin Dyes.” Check out Ismael speaking below:

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April 27th, 2026

Congratulations to Iryna and Rishabh

Iryna and Rishabh give their final talks in CHEM 499 and PHYS 499 respectively. Both did an excellent job during […]

April 27th, 2026

A collaborative paper with Prof. Rylan Lundgren is accepted into ACS Catalysis

Ismael contributes some nice DFT modelling as part of the paper “Cobalt/Photoredox-Catalyzed, Phosphine-Mediated Carbon Isotope Exchange of Unactivated Alkyl Carboxylic […]

April 21st, 2026

Congratulations to Dr. Elayan and a successful PhD defence!

Ismael successfully defends his PhD entitled “Exploring Light–Matter Interactions Through Two-Photon Absorption.” Thanks to Prof. Robert Zalesny (Wroclaw University of […]

March 24th, 2026

A collaborative paper with the Usama (UTSA) group is accepted into JOC

Ismael and Macarena (former UARE intern) contribute computations on one-photon absorption and emission for a series of symmetrical and unsymmetrical […]

March 24th, 2026

A collaborative paper with the Lundgren group is accepted into ACS Catalysis

Ismael contributes some useful DFT computations to a paper lead out of the Lundgren group (Ualberta) “Cobalt/Photoredox-Catalyzed, Phosphine-Mediated Carbon Isotope […]

March 24th, 2026

Congratulations to Abdullah on successful completion of his CHEM502

Abdullah presents an interesting CHEM 502 seminar entitled “DFT Study of Silicate and Aluminate Dissolution in the Metakaolin-Based Geopolymerization.” Based […]

March 12th, 2026

Iryna presents her research at FURCA.

Iryna presents a talk on her CHEM 499 work “Computational Design of Two-photon Active Nanographenes” at the University of Alberta’s […]

February 11th, 2026

Congratulations to Ashton on successfully completing his CHEM 502

Ashton presents an interesting CHEM 502 seminar entitled “Computational Prediction and Interpretation of Biological Iron-Sulfur Cluster Reduction Potentials.” All goes […]

January 16th, 2026

Group welcomes Rishabh and Christian.

Rishabh joins the group as our first PHYS 499 student. He will be exploring the use of GW/BSE for 2PA. […]

December 16th, 2025

Group says goodbye to Umar

Umar finished his internship in the group and returns to Aachen. It was a good few months!