List

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

 March 24, 2026 |  abrown |  Group members, HQP Achievements, Publications |  

Ismael and Macarena (former UARE intern) contribute computations on one-photon absorption and emission for a series of symmetrical and unsymmetrical Cy3 dyes synthesized and characterized by the Usama group (University of Texas – San Antonio). The paper has been accepted in Journal of Organic Chemistry.

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April 12th, 2023

Shyam’s paper accepted into J. Phys. Chem. C

Congratulations to Shyam on his first author paper ” “Revealing Silica’s pH-Dependent Second Harmonic Generation Response with Overcharging” being accepted […]
February 24th, 2023

Alex attends and presents at APATCC in Quy Nhon, Vietnam

Alex presents an invited talk at the 10th edition of the conference of the Asia Pacific Association of Theoretical and […]
February 2nd, 2023

Alex presents a seminar at University of Calgary

Alex presents an invited seminar “Computational explorations of structure and bonding in asphaltene-like model compounds” in the Department of Chemistry, […]
January 26th, 2023

Congratulations to Shyam on finishing his PhD!

Shyam, jointly supervised by Prof. Juli Gibbs, successfully defended his PhD thesis “Microscopic and Macroscopic Insights into Second Order Nonlinear […]
October 27th, 2022

Congratulations to Minh on collaborative paper with the Sang group being accepted into ACS – AMI

Minh’s work computing Raman spectra for various possible SbxSy complexes is part of a collaborative paper spearheaded by the Sang […]
October 27th, 2022

Congratulations to Ismael on passing his CHEM 502

Ismael gives an interesting CHEM502 presentation on “Competing Factors in the Photoisomerization in Fluorescent Proteins.” Congratulations on successfully passing this […]
September 29th, 2022

Congrats to Ismael on receiving an Alberta Graduate Excellence Scholarship (AGES)

Ismael receives an AGES for his excellent academic and research work. “The new Alberta Graduate Excellence Scholarship recognizes outstanding academic […]
September 26th, 2022

Congratulations to Ryan for passing his candidacy exam

Ryan successfully completed his candidacy exam discussions multi-photon absorption in fluorescent proteins! Last (?) hurdle completed. Now time to focus […]
September 21st, 2022

Labanya’s paper accepted into J.Phys. Chem. A

Labanya’s paper “”Computational Design of Crescent Shaped Promising Non-Fullerene Acceptors with 1,4-dihydro-2,3-quinoxalinedione Core and Different Electron-withdrawing Terminal Units for Photovoltaic […]
September 18th, 2022

Congratulations to Labanya on successfully defending her PhD

Labanya, who visited the group for 6 months as a SERB-OVDF recipient, successfully defended her PhD thesis “Computational Design of […]