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Robert Parrish
Group Position: Graduate Student
Office: MSE 4201 Phone: 404-894-7691
Mailing Address: Fax: 404-894-7452
School of Chemistry and Biochemistry     E-mail: robparrish@gmail.com
Georgia Institute of Technology   Personal Page: Link
Atlanta, GA 30332-0400  
 
Educational Background

     B.S. Mechanical Engineering, Georgia Tech 2010

Awards
  • ACS Graduate Award in Computational Physical Chemistry, 2013
  • DOE Computational Sciences Graduate Fellowship, 2011-2015
  • NSF Graduate Fellowship (declined), 2011-2014
  • Young Researcher, Lindau Nobel Laureate Meeting in Physics, 2012
  • 2nd Place Poster Prize, Molecular Quantum Mechanics: An International Conference in Honor of Prof. Rodney Bartlett (2013)
Research Interests
  • Intrinsic numerical approximation techniques
  • Krylov/Newton-Raphson and other iterative methods
  • Rank reduction techniques for the electronic wavefunction
 
Representative Publications

``Tensor Hypercontraction Density Fitting. I. Quartic Scaling Second- and Third-order Møller-Plesset Perturbation Theory,'' E. G. Hohenstein, R. M. Parrish, and T. J. Martínez, J. Chem. Phys. 137, 044103 (2012) (doi: 10.1063/1.4732310)

``Spatial Assignment of Symmetry Adapted Perturbation Theory Interaction Energy Components: The Atomic SAPT Partition,'' R. M. Parrish and C. D. Sherrill, J. Chem. Phys. 141, 044115 (2014) (doi: 10.1063/1.4889855)

``Communication: Acceleration of Coupled Cluster Singles and Doubles Via Orbital-Weighted Least-Squares Tensor Hypercontraction,'' R. M. Parrish, C. D. Sherrill, E. G. Hohenstein, S. I. L. Kokkila, and T. J. Martínez, J. Chem. Phys. 140, 181102 (2014) (doi: 10.1063/1.4876016)

``Accurate Description of Torsion Potentials in Conjugated Polymers Using Density Functionals with Reduced Self-Interaction Error,'' C. Sutton, T. Körzdörfer, M. T. Gray, M. Runsfeld, R. M. Parrish, C. D. Sherrill, J. S. Sears, and J. L. Brédas, J. Chem. Phys. 140, 054310 (2014) (doi: 10.1063/1.4863218)

``Levels of Symmetry Adapted Perturbation Theory (SAPT). I. Efficiency and Performance for Interaction Energies,'' T. M. Parker, L. A. Burns, R. M. Parrish, A. G. Ryno, and C. D. Sherrill, J. Chem. Phys. 140, 094106 (2014) (doi: 10.1063/1.4867135)

``Tractability Gains in Symmetry-Adapted Perturbation Theory Including Coupled Double Excitations: CCD+ST(CCD) Dispersion with Natural Orbital Truncations,'' R. M. Parrish, E. G. Hohenstein, and C. D. Sherrill, J. Chem. Phys. 139, 174102 (2013) (doi: 10.1063/1.4826520)

``Exact Tensor Hypercontraction: A Universal Technique for the Resolution of Matrix Elements of Local Finite-Range N-Body Potentials in Many-Body Quantum Problems,'' R. M. Parrish, E. G. Hohenstein, N. F. Schunck, C. D. Sherrill, and T. J. Martínez, Phys. Rev. Lett. 111, 132505 (2013) (doi: 10.1103/PhysRevLett.111.132505)

``Discrete Variable Representation in Electronic Structure Theory: Quadrature Grids for Least-Squares Tensor Hypercontraction,'' R. M. Parrish, E. G. Hohenstein, T. J. Martínez, and C. D. Sherrill, J. Chem. Phys. 138, 194107 (2013) (doi: 10.1063/1.4802773)

``Quantum-Mechanical Analysis of the Energetic Contributions to π Stacking in Nucleic Acids Versus Rise, Twist, and Slide,'' T. M. Parker, E. G. Hohenstein, R. M. Parrish, N. V. Hud, and C. D. Sherrill, J. Am. Chem. Soc. 135, 1306-1316 (2013) (doi: 10.1021/ja3063309)

``Communication: Tensor Hypercontraction. III. Least-Squares Tensor Hypercontraction for the Determination of Correlated Wavefunctions,'' E. G. Hohenstein, R. M. Parrish, C. D. Sherrill, and T. J. Martínez, J. Chem. Phys. 137, 221101 (2012) (doi: 10.1063/1.4768241)

``Tensor Hypercontraction. II. Least-Squares Renormalization,'' R. M. Parrish, E. G. Hohenstein, T. J. Martínez, and C. D. Sherrill, J. Chem. Phys. 137, 224106 (2012) (doi: 10.1063/1.4768233)

``Assessment of the Performance of Tuned Range-Separated Hybrid Density Functionals in Predicting Accurate Quasiparticle Spectra,'' T. Körzdörfer, R. M. Parrish, N. Marom, J. S. Sears, C. D. Sherrill, and J. L. Brédas, Phys. Rev. B 86, 205110 (2012) (doi: 10.1103/PhysRevB.86.205110)

``On the Relationship Between Bond-Length Alternation and Many-Electron Self-Interaction Error,'' T. Körzdörfer, R. M. Parrish, J. S. Sears, C. D. Sherrill, and J. L. Brédas, J. Chem. Phys. 137, 124305 (2012) (doi: 10.1063/1.4752431)

``Do Deuteriums Form Stronger CH-π Interactions?,'' C. Zhao, R. M. Parrish, M. D. Smith, P. J. Pellachia, C. D. Sherrill, and K. D. Shimizu, J. Am. Chem. Soc. 134, 14306-14309 (2012) (doi: 10.1021/ja305788p)

``PSI4: An Open-Source Ab Initio Electronic Structure Program,'' J. M. Turney, A. C. Simmonett, R. M. Parrish, E. G. Hohenstein, F. A. Evangelista, J. T. Fermann, B. J. Mintz, L. A. Burns, J. J. Wilke, M. L. Abrams, N. J. Russ, M. L. Leininger, C. L. Janssen, E. T. Seidl, W. D. Allen, H. F. Schaefer, R. A. King, E. F. Valeev, C. D. Sherrill, and T. D. Crawford, WIREs Comput. Mol. Sci. 2, 556-565 (2012) (doi: 10.1002/wcms.93)

``Role of Long-Range Intermolecular Forces in the Formation of Inorganic Nanoparticle Clusters,'' G. V. Gibbs, T. D. Crawford, A. F. Wallace, D. F. Cox, R. M. Parrish, E. G. Hohenstein, and C. D. Sherrill, J. Phys. Chem. A 115, 12933-12940 (2011) (doi: 10.1021/jp204044k)

``Large-scale Symmetry-adapted Perturbation Theory Computations Via Density Fitting and Laplace Transformation Techniques: Investigating the Fundamental Forces of DNA-intercalator Interactions,'' E. G. Hohenstein, R. M. Parrish, C. D. Sherrill, J. M. Turney, and H. F. Schaefer, J. Chem. Phys. 135, 174107 (2011) (doi: 10.1063/1.3656681)

``Quartic Scaling Second-order Approximate Coupled Cluster Singles and Doubles Via Tensor Hypercontraction: THC-CC2,'' E. G. Hohenstein, S. I. L. Kokkila, R. M. Parrish, and T. J. Martinez, J. Chem. Phys. 138, 124111 (2013) (doi: 10.1063/1.4795514)


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