Chemistry

Robert J. Harrison

Joint Faculty:

       - Professor, Department of Chemistry - University of Tennessee
       - Computational Chemical Sciences Group, Computer Science and Mathematics Division - Oak Ridge National Laboratory

Homepage: http://www.csm.ornl.gov/ccsg/html/staff/harrison.html

Email: harrisonrj@ornl.gov

Selected Publications

Robert has over 75 publications on computational chemistry and high-performance computing, which have been cited more than 3500 times. He won Best Paper Awards at Supercomputing 1998 and IEEE High-Performance Distributed Computing 1996. Additional publications are available at http://www.csm.ornl.gov/ccsg/html/.

• Excited state quantum-classical molecular dynamics
  Predrag S Krstic et al. 2006. Phys. Scr. T124 101-107
• Multiresolution computational chemistry
  Robert J Harrison et al. 2005. J. Phys.: Conf. Ser. 16 243-246   doi:10.1088/1742-6596/16/1/032
• "Multiresolution Quantum Chemistry in Multiwavelet Bases"
  R.J. Harrison, G.I. Fann, T. Yanai and G. Beylkin.
  Computational Science - ICCS 2003, Lecture Notes in Computer Science (Springer, 2003), pp. 103-110.
• "Multiresolution Quantum Chemistry in multiwavelet bases: analytic derivatives for Hartree-Fock and density functional theory"
  T. Yanai, G.I. Fann, Z. Gan, R.J. Harrison and G. Beylkin. 2004. J. Chem. Phys. 121: 2866-2876 (2004).