John R Barker

Office:

1520 Space Research Building

Phone:

(734) 763-6239

Fax:

(734) 936-0503

Email:

jrbarker@umich.edu

Web:

http://aoss.engin.umich.edu/multiwell/

Education:

Ph.D., M.S., Chemistry, Carnegie-Mellon University B.S., Hampden-Sydney College

Research:

Computational chemical kinetics and dynamics

Specializations and Research Interests

• Atmospheric Chemistry
• Master equation modeling ("MultiWell" computer code suite)
• Chemical-dynamical modeling of elementary reactions
• Fundamental studies of molecular energy transfer

Honors, Awards and Accomplishments

• Visiting Scholar as a guest of the Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun, China (July 1-31, 2008)
• AOSS Outstanding Achievement Award (2006) 
• AOSS Department Excellence in Teaching Award (1993, 1997)
• Co-organizer of the Workshop on Large Molecule Energy Transfer (Adelaide, Australia 1996)
• Host of the 19th Informal Conference on Photochemistry (Ann Arbor, 1990)
• Recipient of the H. Julian Allen Award (1986): An originator (with Louis J. Allamandola and A. G. G. M. Tielens) of the "PAH Hypothesis" — that polycyclic aromatic hydrocarbon species are abundant in the interstellar medium and in the outflows from carbon-rich stars

Professional Service

• Member, NASA/JPL Panel for Data Evaluation
• American Physical Society
• American Chemical Society
• American Geophysical Union

Publications

1. Nguyen, T.L., J.F. Stanton, and J.R. Barker (2010), A Practical Implementation of Semi-Classical Transition State Theory for Polyatomics, Chem. Phys. Letters, 499, 9-15.
2. Nguyen, T.L., and J.R. Barker (2010), Sums and Densities of Fully-Coupled Anharmonic Vibrational States: A Comparison of Three Practical Methods, J. Phys. Chem. A., 114, 3718–3730.
3. Barker, J.R., and R.E. Weston (2010), Jr., Collisional Energy Transfer Probability Densities P(E,J;E',J') for Monatomics Colliding with Large Molecules, J. Phys. Chem. A, 114, 10619–10633.
4. Stimac, P. J., and J. R. Barker (2008), Non-RRKM Dynamics in the CH3O2 + NO Reaction System, J. Phys. Chem. A, 112, 2553-2562.
5. Maranzana, A., J. R. Barker, and G. Tonachini (2007), Master Equation Simulations of Competing Unimolecular and Bimolecular Reactions: Application to OH Production in the Reaction of Acetyl Radical with O2, Phys. Chem. Chem. Phys., 9, 4129 - 4141.
6. Liu, Y., L. L. Lohr, and J. R. Barker (2006), Quasi-classical Trajectory Simulations of OH(v) + NO2 → HONO2* → OH(v') + NO2: Capture and Vibrational Deactivation Rate Constants, J. Phys. Chem. A, 110, 1267-1277.
7. Golden, D. M., J. R. Barker, and L. L. Lohr (2003), Master Equation Models for the Pressure- and Temperature-Dependent Reactions HO + NO2 -> HONO2 and HO + NO2 -> HOONO, J. Phys. Chem. A, 107, 11057-11071.
8. Barker, J. R., L. L. Lohr, R. M. Shroll, and S. Reading (2003), Modeling the Organic Nitrate Yields in the Reaction of Alkyl Peroxy Radicals with Nitric Oxide. II. Reaction Simulations, J. Phys. Chem. A., 107, 7434-7444.
9. Barker, J. R., and D. M. Golden (2003), Master Equation Analysis of Pressure-Dependent Atmospheric Reactions, Chem. Rev., 103, 4577-4591.
10. Barker, J. R., L. M. Yoder, and K. D. King (2001), Feature Article: Vibrational Energy Transfer Modeling of Non-Equilibrium Polyatomic Reaction Systems, J. Phys. Chem. A, 105, 796-809.
11. Barker, J. R. (2001), Multiple-well, multiple-reaction-path unimolecular reaction systems. I. MultiWell computer program suite, Int. J. Chem. Kinetics, 33, 232-245.