List

Ismael, Laura, and Rodrigo’s paper on benchmarking for 2PA cross- sections is accepted in JCTC

 April 19, 2024 |  abrown |  Group members, HQP Achievements, Publications |  

Congratulations to Ismael, Rodrigo, and Laura as their paper Beyond Explored Functionals: A Computational Journey of Two-Photon Absorption is accepted into Journal of Chemical Theory and Computation. This is Isabel and Rorgio’s first JCTC and Laura’s first ever paper! Laura did a huge amount of the computational work during her summer project in 2023.

  Posts

1 2 3 4 5 … 25
April 28th, 2023

Congratulations to Minh and Shyam on receiving TA awards

Shyam and Minh both received TA awards from the Faculty of Graduate Studies and Research (FGSR). Great job you two!
April 17th, 2023

Group attends TESD 2023 in Jasper, AB

The majority of the group attends and presents at the 8th Annual Symposium on Theoretical and Experimental Spectroscopy and Dynamics […]
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 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 […]