Research
I develop theoretical and computational tools for light–matter interactions, molecular simulation, electronic structure, and AI-enhanced scientific research.
Research
I develop theoretical and computational tools for light–matter interactions, molecular simulation, electronic structure, and AI-enhanced scientific research.
Computational Polaritonics
Atomistic and mesoscale cavity molecular dynamics for realistic vibrational polaritons. This project studies how optical cavities reshape molecular vibrations, relaxation, energy transfer, and nonlinear spectroscopic responses, while developing self-consistent light-matter simulation tools such as CavMD and MaxwellLink.
AI-enhanced Research
LLM-based autonomous agents for scientific simulations, workflow orchestration, and research code optimization. This project builds reliable agentic systems such as FermiLink that can plan computational tasks, connect domain tools, refine code iteratively, and organize reproducible multi-step experiments.