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Robert Harrison

Chief Scientist, Computational Science Initiative

Computational Sciences Research Activities

  • Theoretical & computational chemistry
  • Electron correlation
  • Electron transport
  • Relativistic chemistry
  • Response theory
  • Simulation in many dimensions
  • High-performance computing
  • High-productivity computing


  • University of Cambridge, U.K. Department of Organic and Theoretical Chemistry, Ph.D., 1984
  • University of Cambridge, U.K. Churchill College, B.A., 1981

Professional Appointments

  • Director of Center of Scientific Computing, Brookhaven National Laboratory, October 2012 - Present
  • Director, Institute of Advanced Scientific Computing and Professor, Department of Applied Mathematics, Stony Brook University, October 2012 - Present
  • Director, Joint Institute for Computational Sciences and Professor, Department of Chemistry, University of Tennessee, Knoxville and Corporate Fellow, Oak Ridge National Laboratory, March 2011 - September 2012
  • Professor, Department of Chemistry, University of Tennessee, Knoxville and Corporate Fellow, Oak Ridge National Laboratory, August 2002 - February 2011)
  • Senior Chief Scientist, Environmental Molecular Sciences Laboratory (EMSL), Pacific Northwest National Laboratory, PNNL, 2002
  • Technical Group Leader, EMSL, PNNL, 2001 - 2002
  • Chief Scientist, EMSL, PNNL, 1992 - 2001
  • Assistant Scientist, Theoretical Chemistry Group, Argonne National Laboratory, 1988 - 1992
  • Daresbury Laboratory, U.K., Postdoctoral Research, 1986 - 1988

Selected Publications & Research Highlights

A. Gothandaraman, G. D. Peterson, G.L. Warren, R. J. Hinde and R. J. Harrison, “FPGA acceleration of a quantum Monte Carlo application,” Parallel Computing 34 (2008) 278

E. Aprà, R.J. Harrison, W.A. de Jong, A.P. Rendell, V. Tipparaju, S. Xantheas, “Liquid Water: Obtaining the right answer for the right reasons,” SC '09: Proceedings of the 2009 ACM/IEEE conference on Supercomputing (Gordon Bell finalist)

Gothandaraman, G.D. Peterson, R.J. Hinde, R.J. Harrison, “A Pipelined and Parallel Architecture for Quantum Monte Carlo Simulations on FPGAs,” VLSI Design, Article ID 946486, 2010

J-K Lee, G.D. Peterson, R.J. Harrison, R.J. Hinde, “Implementation of Hardware Accelerated Scalable Parallel Random Number Generators,” VLSI Design, Article ID 930821, 2010

E. Aprà, R. J. Harrison, W. A. Shelton, V. Tipparaju and A. Vázquez-Mayagoitia, “Computational Chemistry at the Petascale: Are We There Yet?,” Journal of Physics: Conference Series 180, 012027, 2009

G.I. Fann, J.C. Pei, R.J. Harrison ,J. Jia, J.C. Hill, M.J. Ou, W. Nazarewicz, W.A. Shelton and N. Schunck, Fast multiresolution methods for density functional theory in nuclear physics," Journal of Physics, 180 (2009) 012080

K. Stock, T. Henretty, I. Murugandi, P. Sadayappan, and R.J. Harrison, “Model-Driven SIMD Code Generation for a Multi-Resolution Tensor Kernel ,” proceeding of the 25th IEEE International Parallel & Distributed Processing Symposium, 2011

J.C. Pei, G.I. Fann, W. Nazarewicz, R.J. Harrison, J. Hill, D. Galindo, J. Jia, “Coordinate-Space Hartree-Fock-Bogoliubov for Superfluid Fermi Systems in Large Boxes,” J. Phys. Conf. Ser. 402, 012035 (2012)

N.E. Vence, R.J. Harrison, and P. Krstic, “Attosecond electron dynamics: A multiresolution approach,” Phys. Rev. A 85, 033403 (2012)