Donald G. Truhlar

portrait of Professor Donald Truhlar

Donald G. Truhlar

Regents Professor, Department of Chemistry


Smith Hall
Room 247
207 Pleasant Street Se
Minneapolis, MN 55455


Chemical Theory Center, Minnesota Supercomputing Institute
Inorganometallic Catalyst Design Center, Associate Director Nanoporous Materials Genome Center
Chemical Physics Graduate Faculty


B.S. St. Mary's College, 1965

Ph.D. California Institute of Technology, 1970

Research Interests

Chemical Physics: dynamics and electronic structure

Chemical Theory & Computation: dynamics and electronic structure

Environmental & Green Chemistry: environmental computational chemistry

Nanoscience & Materials Chemistry: computational studies

Energy & Catalysis

Chemical Biology

Research interests include:

  • 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
model reaction of energy and reaction coordinate

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:

Mailing Address

Donald G. Truhlar
University of Minnesota
Department of Chemistry
C-1, 139 Smith Hall, 207 Pleasant St SE
Minneapolis, MN 55455-0431