Theory seminar series

The theory seminar series provides a forum for the theory groups in the Division of Chemistry and Chemical Engineering (CCE) to share their research and to learn from and collaborate with one another. Each session is led by a particular theory group, and the format is open-ended. A session can feature one or more speakers, and can be structured as a more traditional research talk, or a tutorial, literature review, overview of a group's research areas, etc.

Organizers: Maddy Murphy & Eirik Kjønstad

Fall 2025

Time: Every other Wednesday at 4-5 pm (please see below for dates and any exceptions)
Location: Noyes 153 (unless otherwise specified below)

Aug. 13: Research directions in the Chan Group

A joint talk by Chan Group members Xing Zhang, Shunyue Yuan, Gunhee Park, and Chris Chen

Aug. 27: Progress in QM and MD simulations of materials, catalysts, and biomolecular systems in the Goddard Group

"Activation mechanism of the metabotropic GABAb receptor" - Moon Young Yang"Bicarbonate-carbonic acid equilibrium and pH in microenvironments" - Prabhat Prakash"Theoretical Cyclic Voltammogram for Iridium oxide" - Soonho Kwon"Understanding the Interface Using Ab-initio Methods and Artificial Intelligence" - Sejun Kim

Sep. 10: Work on coarse-grained theories and simulations for macromolecular systems in the Wang Group

A joint talk by Wang Group members Sam Varner, Pierre Walker, and Chao Duan

Sep. 24: Presentations by Sharma Group members

"Unimolecular kinetics of alkoxy and beta-hydroxyalkoxy radicals" - Baljit Singh"On the Origin of Bias in cp-AFQMC" - Alfred Li

Oct. 15: Presentation by Fong Group member

"Transport-Driven Origins of Specific Ion Effects in Electrochemical Nitrate Reduction" - Maddy Murphy3 pm in Spalding Lab 106

Oct. 29: Brady Group

3 pm in Spalding Lab 106

Nov. 12: Chan Group

3 pm in Spalding Lab 106

Nov. 26 (tentative): Goddard Group

3 pm in Spalding Lab 106

More sessions to be scheduled...