Research

I am trained as a computational physicist with a strong interest for applying theoretical and numerical methods to solve complex physical and chemical problems.

My research group focuses on utilizing molecular dynamics simulations and ab initio calculations, integrated with multimodal spectroscopic techniques such as vibrational spectroscopy (IR, Raman, SFG), excited-state spectroscopy, X-ray spectroscopy, and nuclear magnetic resonance (NMR).

Our work revolves around developing and applying cutting-edge algorithms—including artificial intelligence, theoretical chemistry, and computational physics—to investigate the intricate relationship between spectral features and microscopic structures.

Through our research, we aim to advance understanding of molecular structures at complex interfaces, contributing to key fields such as materials science, water science, electrochemistry, and related fields.

Research Topics

• Decoding Water Structure & Dynamics via Computational Multimodal Spectroscopy & Simulations

• AI-Driven Computational Spectroscopy & Molecular Modeling of Electrochemical Interfaces

• Probing Materials Under Extreme Conditions: Linking Real-Time Spectroscopic Signatures to Atomic Structure