THETA RESEARCH GROUP

Theoretical Chemical Physics

Using Light to Control Chemical and Material Properties

With a focus on developing novel theoretical models and simulation methods, our group aims at understanding dynamics of molecules and materials strongly interacting with light to guide experimental improvements in next-generation photovoltaics and facilitate new design principles for nano-devices.

Electron transfer in
plasmonic materials

Collective excitation
in an optical cavity

Quantum simulation
on metal surfaces

1/4/2024 | Theta talks about collective excitations at NCTS (Taiwan)

Theta is invited to give a talk about collective excitations and electron transfer under strong coupling at the National Center for Theoretical Sciences (NCTS) in Taipei, Taiwan. 

10/23/2023 | Robbie passes his OCE. 🎉🍾

Robbie (joint with the Serrano lab) passed the oral candidacy exam. He will explore disorder and reactivity in cavity-coupled molecular systems under vibrational Strong coupling using 2DIR spectroscopy and numerical simulations. Congratulations!

10/10/2023 | Guangming passes his OCE. 🎉🍾

Guagming presents his progress in investigating Su–Schrieffer–Heeger (SSH) model for charge transport In organic semiconductors. He also discusses his future plan on looking into cavity-induced transport properties.  Congratulations!

10/6/2023 | Shravan passes his OCE. 🎉🍾

Shravan presents his progress and future directions in investigating "primary factors responsible for the optical cavity effect on the rate constant of charge transfer reactions." Congratulations!

8/9/2023 | New publication

Check out recent publications discussing the interplay between disorder, local relaxation, and collective behavior within an optical cavity.  

7/26/2023 | STEM summer with GE Girls 

Theta led the morning session for GE Girls -- a STEM summer day camp for middle schoolers in the South Bend area.  They LOVED the activity and the chance to get creative. 

6/21/2023 | Welcome new students!

We are delighted to announce the latest additions to our research group. A warm welcome to Wei-Kuo Li and Charlize Vaden. Stay tuned for updates on the amazing things we'll learn together.  🎉


11/2/2022 | New publication

Our recent work is published in Phys. Rev. A. Thanks so much to the editors for selecting our work as an Editor's Suggestion. Check out [here].