theoretical and computational chemistry, simulation and modeling:
- algorithms, methods
- quantum photochemistry
- reaction rates
- solvation
- nanoparticles
- Earth and planetary sciences
- environmental chemistry
- biochemistry, drug design, neurochemistry
- combustion chemistry
- catalysis
- quantum effects, tunneling, path integrals, transition state theory
- potential energy surfaces
- density functional theory

Research Page

model reaction of energy and reaction coordinate

Biography

Publications & Awards

Honors and Awards

Award for Outstanding Contributions to Graduate and Professional Education, 2020
American Chemical Society Award in Theoretical Chemistry, 2019
Honorary Fellow Council of the Chemical Research Society of India, 2019
American Physical Society Earle K. Plyler Prize for Molecular Spectroscopy and Dynamics, 2016
Member of the American Academy of Arts and Sciences, 2015
Council of Graduate Students Outstanding Advising and Mentoring Award, 2015-2016
Honorary Fellow of the Chinese Chemical Society, 2015
Council of Graduate Students Outstanding Faculty Award, 2015
American Physical Society Outstanding Referee of the Physical Review and Physical Review Letters, 2015
Computational Chemical Dynamics: A Symposium in Honor of Donald Truhlar, American Chemical Society, 2015
Outstanding Referee of the Physical Review and Physical Review Letters, 2014
Outstanding Adviser Award of the Graduate and Professional Student Assembly, 2013
International Symposium on Organic Reaction Mechanism: A Celebration in Honor of Bob Grubbs, Ken Houk, Paul Schleyer and Don Truhlar, Shenzhen, China, 2013
Royal Society of Chemistry Chemical Dynamics Award, 2012
Distinguished Alumnus Award, St. Mary’s University of Minnnesota, 2011
Doctor honoris causa of Technical University of Lodz, Poland, 2010
Elected to Fellowship in the American Chemical Society, 2009
Elected to the National Academy of Sciences of the USA, 2009
Named a Fellow of Royal Society of Chemistry (FSRC), 2009
Dudley R. Herschbach Award for Excellence in Research in Collision Dynamics, 2009
Elected to the International Academy of Quantum Molecular Science, 2006
Schrödinger Medal of The World Association of Theoretical and Computational Chemists, 2006
Lise Meitner Lectureship Award, 2006
American Chemical Society Peter Debye Award in Physical Chemistry, 2006
Festschrift Issue, Journal of Physical Chemistry A, 2006
University of Minnesota Inventor Recognition Award, 2005
National Academy of Sciences Award for Scientific Reviewing, 2004
Minnesota Award, 2003
American Chemical Society Award for Computers in Chemical and Pharmaceutical Research, 2000
George Taylor/Institute of Technology Alumni Society Distinguished Service Award, 1998
Fellow of the American Association for the Advancement of Science, 1994
NSF Creativity Award, 1993
Fellow of the American Physical Society, 1986
Alfred P. Sloan Foundation Research Fellowship, 1973

Selected Publications

For complete list of publications see: https://truhlar.chem.umn.edu/publications

Mailing Address