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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
4/21/2025 | Big congratulations to our graduate students on recent awards! 🎉
We are thrilled to celebrate two of our graduate students for receiving recognition:
Shravan Kumar Sharma: Recipient of the Graduate Student Government (GSG) Best Use of Math Modeling Award.
Wei-Kuo Li: Recipient of the Center for Research Computing (CRC) Award for Computational Sciences and Visualization.
We are incredibly proud of your hard work and achievements!
3/7/2025 | Dr. Liang-Yan Hsu visits us from IAMS, Academia Sinica
Electrifying discussions filled the air! Liang-Yan Hsu from IAMS, Academia Sinica, provoked stimulating discussions on macroscopic quantum electrodynamics (MQED) in our Physical/Analytical seminar. The energy continued in our group meeting, where he unveiled his research on molecular electronics.
2/26/2025 | Theta talks about strong light-matter interactions at ND SunRISE
Theta is invited to give a topical panel about our research and its potential contributions to sustainable energy solutions at Notre Dame Solar & Renewable Initiatives for Sustainable Energy (ND SunRISE).
1/1/2025 | New Year, New Team Members, New Adventures
A warm welcome to our newest team members! We're thrilled to have Dr. Siwei Wang join us as a postdoctoral researcher and Zach Stichter as a graduate student. We are looking forward to getting to know you both and working together on new projects!
11/08/2024 | Boba for Vigo's first submission
We celebrate Vigo's first submission. His research explores molecular ensembles coupled to a plasmonic nanodisk, revealing unexpected spectral splitting driven by radiative coupling disorder. We have further developed a predictive model to elucidate this intriguing phenomenon. Congratulations, Vigo!
Check out the preprint: https://doi.org/10.48550/arXiv.2411.03479
10/18/2024 | 2024 Trends in Quantum Matters
The Theta group is thrilled to co-organize the 2024 Trends in Quantum Matters workshop at Notre Dame! This dynamic two-day event brings together rising physicists and chemists from across the Midwest and nearby states. Shravan, Robbie, Guangming, and Vigo showcase their exciting research, contributing to an engaging exchange of ideas and discussions.
9/9/2024 | The first publication of the Theta group 🎉🎉🎉
Graduate student Shravan unravel abnormal collective effects of electron transfer in confined electromagnetic fields. Our findings reveal that quantum yield increases linearly with a small number of molecules (N), but shows a turnover and suppression as N becomes large. Check out J. Chem. Phys. 161, 104102 (2024)
5/13/2024 | We present at the annual CoMSEL symposium
We participate in the annual Computational Molecular Science & Engineering Laboratory (CoMSEL) symposium. Guangming gives a oral presentation. Shravan and Robbie present a poster.
2/14/2024 | The Theta group host Professor George Schatz
We are excited to host George to be our Nieuwland lecturer. We enjoyed having lunch with him and got more excited about plasmonics after his talks.
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].
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