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, photochemical reactions, and photocatalysis
  • Aerospace applications
  • Density functional theory
  • Porous materials and catalysis
  • Reaction kinetics in combustion and atmospheric chemistry
  • Semiempirical molecular orbital theory
  • Battery development

This group's research has been featured on the MSI website:

Project Investigators

Junwei Bao
Jie Bao
Suman Bhaumik
Yao-Yuan Chuang
Luke Fiedler
Professor Xiao He
Bhavnesh Jangid
Siriluk Kanchanakungwankul
Bo Long
Aiswarya M Parameswaran
Maryam Mansoori Kermani
Qinghui Meng
Antonio Ramos
Yinan Shu
Regents Professor Donald Truhlar
Zoltan Varga
Pragya Verma
Lili Xing
Jingyun Ye
Linyao Zhang
Are you a member of this group? Log in to see more information.