Daniel M. Chipman

Daniel M. Chipman

Theoretical & Computational Chemistry


1976- present
Notre Dame Radiation Laboratory
Program Officer for Theoretical and Computational Chemistry, National Science Foundation
Visiting Assistant Professor, University of Iowa
Visiting Assistant Professor, University of Colorado
Postdoctoral Scholar in Chemistry, University of California at Santa Barbara
Ph.D. in Physical Chemistry, University of Wisconsin
B.S. in Chemistry, Iowa State University

Research Interests

Dr. Chipman's research interests are involved with theoretical and computational studies of the chemical effects of ionizing radiation on matter. This involves development and improvement of methods for carrying out electronic structure calculations on molecular systems as well as applying the methods to solve problems of current experimental interest. Recent studies have focused on characterizing the low-lying electronic excited states of liquid water and of free radical solutes such as hydroxyl in water. This work is funded by the U. S. Department of Energy to provide fundamental information on chemical processes of importance to the mission of developing improved energy sources for the nation.

Recent Papers

  • Pomogaeva, A.; Chipman, D.M. "Composite Method for Implicit Representation of Solvent in Dimethyl Sulfoxide and Acetonitrile." J. Phys. Chem. A 2015, 119(21), 5173-5180.
  • One of > 100 authors "Advances in molecular quantum chemistry contained in the Q-Chem 4 program package." Mol. Phys. 2015, 113 (2), 184-215.
  • Tolbatov, I.; Chipman, D.M. "Performance of density functionals for computation of core electron binding energies in first-row hydrides and glycine." Theor. Chem. Ac. 2014, 133 (5), 1473.
  • Pomogaeva, A.; Chipman, D.M. "Hydration Energy from a Composite Method for Implicit Representation of Solvent." J .Chem. Theory Comput. 2014, 10 (1), 211-219.
  • Pomogaeva, A.; Chipman, D.M. "Hydrogen Atom in Water from Ambient to High Temperatures." J. Phys. Chem. B 2013, 117 (51), 16530-16541.
  • Pomogaeva, A.; Chipman, D.M. "New Implicit Solvation Models for Dispersion and Exchange Energies." J. Phys. Chem. A 2013, 117 (28), 5812-5820.

Contact Information

  • Concurrent Professor
  • Office: 303B Radiation Laboratory
  • Phone: 574-631-5562
  • Send an email

Primary Research Areas

Research Specialties