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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November 21st, 2025

Paper with Rodrigo and Nathanael in collaboration with Mariusz Klobukowski and Rod Bartlett accepted in JCP

A paper with Rodrigo and Nathanael, in collaboration with Mariusz Klobukowski (Alberta) and Rod Bartlett (Florida), entitled “cQTP25: A New […]
November 21st, 2025

Congratulations to Ashton on his first paper!

Ashton, in collaboration with Ismael, has his first paper “Beyond TD-DFT: Assessing the Bethe–Salpeter Equation within the GW Approximation for […]
October 8th, 2025

Ismael and Ashton attend summer schools.

Ismael and Ashton attended two different summer schools in Europe Sept. 29-Oct.3 (but met at the airport on their departure […]
September 29th, 2025

Welcome to Umar as a RWTH Aachen Visiting intern

Umar Wahabzada joins the group for 3 months as an RWTH Aachen junior fellow. Umar will wrk collaboratively with Prof. […]
September 25th, 2025

Sahil’s (first!) paper with the Meanwell group accepted for publication in Nat. Comm.

A collaborative paper “Beneficial Role of Sacrificial Magnesium Anode Enables Electrochemical Precision Deutero-(Di)carboxylation for the Preparation of Deuterium-Labeled Medicinal Building […]
September 5th, 2025

Jessica and Nathanael’s tutorial review in accepted into PCCP

Jessica and Nathanael’s tutorial review “An Efficient Workflow for Generation of Conformational Ensembles of Density Functional Theory Quality: Dimers of […]
September 1st, 2025

Group welcomes Iryna as a CHEM 499 student

Welcome to Iryna Mamchenko who joins the group as a CHEM 499 student for 2025-26. Iryna is working on 2PA […]
August 27th, 2025

Congratulations to Ismael on receiving the Devendra Jindal Graduate Scholarship

Ismael receives the Devendra Jindal Graduate Scholarship (for a second time!) the which goes to a student with “Superior Academic […]
August 14th, 2025

Ryan’s paper is accepted in J. Phys. Chem. A

Ryan paper, with Ismael and Ian as co-authors, entitled “Tuning Maps for Two-Photon Absorption Cross Sections of Canonical and Noncanonical […]
August 1st, 2025

Ismael, Ashton, and Alex attend the Two-photon Workshop

Ismael, Ashton, and Alex road trip to Bozeman, Montana to attend and present at the Workshop “Multiphoton Absorption: New Imaging […]