The Yu Research Group

Welcome to the Yu research group at the University of North Dakota! Our research interests focus on developing computational methods to solve challenging problems in chemistry, biology, and materials sciences, including:

Plasmonic excitations of nanomaterials and application in photocatalysis
Bioimaging with Ru-complexes and carbon and silicon nanomaterials
Photoinduced proton and electron transfer in protein, DNA, and nanomaterials
Structure and dynamics of RNA-binding disorder protein
Nonadiabatic ab initio molecular dynamics (NAIMD) simulations

We employ quantum chemistry methods and molecular dynamics simulation techniques to investigate key types of chemical processes in condensed phase.

Electron-beam induced plasmon

Electron-beam induced plasmonic excitations in nanoparticles can be used to promote chemical reaction through photocatalysis.

Inorganic bioimaging materials

Transition-metal complexes and nanogrephene and silicon materials with different doped atoms can be used in bioimages.

Proton and electron transfer

Photoinduced PT and ET plays essential roles in many chemical processes in biological and material systems.

Biomolecular structure and dynamics

RNA-binding disorder protein displays multiple confirmations. This highly-dynamical feature makes the protein regulate the functionality of RNA.