Regents Professor Donald Truhlar

CSENG Chemistry
College of Science & Engineering
Twin Cities
Project Title: 
Computational Chemical Dynamics and Quantum Chemistry

The Truhlar group is working on multiple and diverse projects in the field of theoretical and computational chemistry. They are currently working on projects in the following areas:

  • Quantitative simulation of electronic excitation, electronically nonadiabatic processes, and photochemical reactions
  • Aerospace applications
  • Density functional theory, including both Kohn-Sham density functional theory (KS-DFT) and Multiconfiguration pair-density functional theory (MC-PDFT)
  • Porous materials and catalysis
  • Reaction kinetics in combustion and atmospheric chemistry
  • Semiempirical molecular orbital theory
  • Batteries

This group's research was featured on the MSI website in January 2015: Using Computational Chemistry to Study Dusty Plasmas.

Project Investigators

Jie Bao
Junwei Bao
Suman Bhaumik
Lyuben Borislavov
Xu Cai
Professor Chris Cramer
Xiaozhe Fan
Luke Fiedler
Lu Gao
Professor Xiao He
Siriluk Kanchanakungwankul
Shuhang Li
Wei-Guang Liu
Bo Long
Erica Mitchell
Jiaxin Ning
Teaching Assistant Kelsey Parker
Antonio Ramos
Yinan Shu
Regents Professor Donald Truhlar
Are you a member of this group? Log in to see more information.