The Henry Eyring Center for Theoretical Chemistry consists of the research groups of Professors Valeria Molinero, Thanh Truong, Julio Facelli, Tom Cheatham, Feng Liu, Ryan Steele, Riccardo Baron, Dmitry Bedrov and Jack Simons. Areas of focus include applying modern theoretical and computational techniques to address problems in chemical physics, materials chemistry, polymer science, pharmaceutical science, and medicinal and biological chemistry.



members & groups

Simons Group (Professor Jack Simons, Chemistry)

Truong Group (Professor Thanh N. Truong, Chemistry)

Facelli Group
(Professor Julio Facelli, Biomedical Infomatics)

Cheatham Group (Professor Tom Cheatham, Medicinal Chemistry)
Liu Group (Professor Feng Liu, Materials Science and Engineering)

Molinero Group
(Professor Valeria Molinero, Chemistry, HEC Director)

Baron Group
(Professor Riccardo Baron, Medicinal Chemistry)

Steele Group (Professor Ryan Steele, Chemistry)
Bedrov Group (Professor Dmitry Bedrov, Materials Science and Engineering)


Jack Simons awarded 2013-14 Hirschfelder Prize in Theoretical ChemistRY

4/8/2014, 2-3 pm 4630 TBBC

HEC Seminar

Professor Baron Peters

Testing Mechanistic Hypotheses with Path Sampling Methods

HEC Seminars can be found HERE
Thatcher Chemistry
Medicinal Chemistry
Materials Science
BiomedBiomedical Infomatics