Quantum molecular dynamics

Everything moves in real time! We want to study how molecules dynamically behave by solving time-dependent Schodinger equation.
But, it is hard, very very hard!
What do we do?

Nonlinear molecular spectroscopy

We theoretically design new spectroscopy signals with novel light sources, especially quantum light sources and x-ray pulses.

Quantum light spectroscopy

We are living in the quantum era! How to use quantum light sources to Enhance the spatial, temporal, and spectral resolution of optical signals?

X-ray spectroscopy

Yes, this is the x-ray you see in the hospital. And yes, it can be used to probe structure. But more than that, now it can be used to do a whole variety of x-ray spectroscopy! X-ray absorption, X-ray photoemission, X-ray Raman ...

Molecular polaritons

Optical microcavities are empty boxes, just very small.
Yet, demonstrated by experiments, they profoundly alters the physicochemical properties of embedded molecules.
How did that happen?
Chem. Rev. 2023, 123, 9786−9879

Correlated electron-nuclear dynamics

To understand how molecules behave upon a “kick” from photons (i.e., photochemical and photophysical processes), we need to solve the time-dependent Schrodinger equation for the entire molecule consisting of coupled electrons and nuclei. We are interested in developing accurate yet practical methods to tackle this grand challenge.

Open quantum systems

Dynamics of open quantum systems (how to simulate the influence of the environment on quantum systems)