Research#
Research in the TEL Group is centered around understanding light-matter interactions through the development of innovative theoretical and computational tools. Our research toolbox encompasses a fusion of nonadiabatic dynamics, statistical mechanics, and electronic structure theory.
Main Research Interests
Computational Polaritonics
Polaritons are hybrid light-matter states stemming from strong light-matter interactions. Imagine harnessing these polariton states to engineer molecular properties or even to tune the behavior of light itself. Guided by this vision, we are developing analytical theories and large-scale simulation tools to explore various possibilities of molecular polaritons.
Quantum Effects in Complex Environments
Quantum effects, such as nuclear quantum effects (NQEs), in simple systems have been extensively studied both experimentally and theoretically. However, elucidating the behavior of NQEs in more complex environments, particularly under intense laser irradiation or in close proximity to metal interfaces, remains a challenging frontier. The insights gained from our research could facilitate designing more efficient hydrogen production strategies or Li-ion batteries.
AI Agents for Scientific Discovery
The rapid advancement of artificial intelligence (AI) has opened up new avenues for scientific discovery. We are particularly interested in developing AI agents that for autonomous computational simulations and method development.
Check the keyword cloud below to see more specific research topics we are interested in!