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

Bo Wang
Junjun Wu
Dihua Wu
Lili Xing
Dayou Zhang
Xin Zhang
Ruiming Zhang
Dr. Chen Zhou
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