Robert J. Harrison

Robert J. Harrison (born 1960) is Director of the Joint Institute of Computational Science (JICS) and holds a joint appointment between Oak Ridge National Laboratory (ORNL) and the department of chemistry at the University of Tennessee, Knoxville. The National Institute for Computational Sciences (NICS) is part of JICS.^[1]

He has many publications in peer-reviewed journals in the areas of theoretical and computational chemistry, and high-performance computing. His undergraduate (1981) and post-graduate (1984) degrees were obtained at Cambridge University, England. Subsequently, he worked as a postdoctoral research fellow at the Quantum Theory Project, Univ. Florida, and the Daresbury Laboratory, England, before joining the staff of the theoretical chemistry group at Argonne National Laboratory in 1988. In 1992, he moved to the Environmental Molecular Sciences Laboratory of Pacific Northwest National Laboratory, conducting research in theoretical chemistry and leading the development of NWChem, a computational chemistry code for massively parallel computers. In August 2002, he started the joint faculty appointment with UT/ORNL, and became director of JICS in 2011.

In addition to his DOE Scientific Discovery through Advanced Computing (SciDAC) research into efficient and accurate calculations on large systems, he has been pursuing applications in molecular electronics and chemistry at the nanoscale. In 1999, the NWChem team received an R&D Magazine R&D100 award, in 2002, he received the IEEE Computer Society Sidney Fernbach Award, and in 2011 another R&D Magazine R&D100 award for the development of MADNESS.

His interests and expertise are in theoretical and computational chemistry, high-performance computing, electron correlation, electron transport, relativistic chemistry, and response theory.

Bibliography

1. Beylkin, Gregory; Fann, George; Harrison, Robert J.; Kurcz, Christopher; Monzón, Lucas (2012). "Multiresolution representation of operators with boundary conditions on simple domains". Applied and Computational Harmonic Analysis 33: 109. doi:10.1016/j.acha.2011.10.001. 
2. Gothandaraman, Akila; Peterson, Gregory D.; Warren, G.L.; Hinde, Robert J.; Harrison, Robert J. (2008). "FPGA acceleration of a quantum Monte Carlo application". Parallel Computing 34 (4–5): 278. doi:10.1016/j.parco.2008.01.009. 
3. Sekino, Hideo; Maeda, Yasuyuki; Yanai, Takeshi; Harrison, Robert J. (2008). "Basis set limit Hartree–Fock and density functional theory response property evaluation by multiresolution multiwavelet basis". The Journal of Chemical Physics 129 (3): 034111. doi:10.1063/1.2955730. PMID 18647020. 
4. Beste, Ariana; Meunier, Vincent; Harrison, Robert J. (2008). "Electron transport in open systems from finite-size calculations: Examination of the principal layer method applied to linear gold chains". The Journal of Chemical Physics 128 (15): 154713. doi:10.1063/1.2905219. PMID 18433264. 
5. Hirata, So; Yanai, Takeshi; Harrison, Robert J.; Kamiya, Muneaki; Fan, Peng-Dong (2007). "High-order electron-correlation methods with scalar relativistic and spin-orbit corrections". The Journal of Chemical Physics 126 (2): 024104. doi:10.1063/1.2423005. PMID 17228940. 
6. Gan, Zhengting; Grant, Daniel J.; Harrison, Robert J.; Dixon, David A. (2006). "The lowest energy states of the group-IIIA–group-VA heteronuclear diatomics: BN, BP, AlN, and AlP from full configuration interaction calculations". The Journal of Chemical Physics 125 (12): 124311. doi:10.1063/1.2335446. PMID 17014178. 
7. Harrison, Robert J.; Fann, George I.; Yanai, Takeshi; Gan, Zhengting; Beylkin, Gregory (2004). "Multiresolution quantum chemistry: Basic theory and initial applications". The Journal of Chemical Physics 121 (23): 11587–98. doi:10.1063/1.1791051. PMID 15634124. 

References

External links

• Microsoft Research Paper Search