List

The group participates in the first Virtual Symposium on Theoretical and Computational Chemistry in Canada (VSTC^3) held July 19-23. Alex and Ryan are part of the organizing committee. Labanya presents a speed talk entitled “Pechmann Dye Analogues Based Small Molecules as Promising Donor Candidates in Photovoltaics with Low Interfacial Charge Recombination” and Arturo presents a talk “Uncovering Halide Mixing and Octahedral Dynamics in Cs2SnX6 by Multinuclear Magnetic Resonance Spectroscopy”

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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!