Robert Parrish

  • Program Years: 2011-2015
  • Academic Institution: Georgia Institute of Technology
  • Field of Study: Theoretical Chemistry
  • Academic Advisor: David Sherrill
  • Practicum(s):
    Lawrence Livermore National Laboratory (2012)
  • Degree(s):
    Ph.D. Chemistry, Georgia Institute of Technology, 2015
    B.S. Mechanical Engineering, Georgia Institute of Technology, 2010

Current Status

  • Research Area: Theoretical Chemistry


R.M. Parrish and C.D. Sherrill, "Communication: Quantum mechanical evaluation of π-π vs. substituent-π interactions in π-stacking: Direct evidence for the Wheeler-Houk picture," J. Am. Chem. Soc., 136, 17386 (2014)

R.M. Parrish, T.M. Parker, and C.D. Sherrill, "Chemical assignment of symmetry adapted perturbation theory interaction energy components: The functional-group SAPT partition," J. Chem. Theory Comput., 10, 4417 (2014)

R.M. Parrish and C.D. Sherrill, "Spatial assignment of symmetry adapted perturbation theory interaction energy components: The atomic SAPT partition," J. Chem. Phys., 141, 044115 (2014)

R.M. Parrish, C.D. Sherrill, E.G. Hohenstein, S.I.L. Kokkila, and T.J. Martínez, "Communication: Acceleration of coupled cluster singles and doubles via orbital-weighted least-squares tensor hypercontraction," J. Chem. Phys., 140, 181102 (2014)

T.M. Parker, L.A. Burns, R.M. Parrish, A.G. Ryno, and C.D. Sherrill, "Levels of symmetry adapted perturbation theory. I. Efficiency and performance for interaction energies," J. Chem. Phys., 140, 094106 (2014)

C. Sutton, T. Körzdörfer, M.T. Gray, M. Brunsfeld, R.M. Parrish, C.D. Sherrill, and J.L. Brédas, "Accurate description of torsion potentials in conjugated polymers using density functionals with reduced self-interaction error," J. Chem. Phys., 140, 054310 (2014)

R.M. Parrish, E.G. Hohenstein, and C.D. Sherrill, "Tractability gains in symmetry-adapted perturbation theory including coupled double excitations: CCD+ST(CCD) dispersion with natural orbital truncations," J. Chem. Phys., 139, 174102 (2013)

E.G. Hohenstein, S.I.L. Kokkila, R.M. Parrish, and T.J. Martínez, "Tensor hypercontraction equation-of-motion second-order approximate coupled cluster: Electronic excitation energies in O(N^4) time," J. Phys. Chem. B, 117, 12972 (2013)

R.M. Parrish, E.G. Hohenstein, N.F. Schunck, C.D. Sherrill, and T.J. Martínez, "Exact tensor hypercontraction: A universal technique for the resolution of matrix elements of local, finite-range N-body potentials in many-body quantum problems," Phys. Rev. Lett., 111, 132505 (2013)

R.M. Parrish, E.G. Hohenstein, T.J. Martínez, and C. David Sherrill, “Discrete variable representation in electronic structure theory: Quadrature grids for least-squares tensor hypercontraction,” J. Chem. Phys., 138, 194107 (2013)

E.G. Hohenstein, S.I.L. Kokkila, R.M. Parrish, and T.J. Martínez, “Quartic scaling second-order approximate coupled cluster singles and doubles via tensor hypercontraction: THC-CC2,” J. Chem. Phys., 138, 124111 (2013)

T.M. Parker, E.G. Hohenstein, R.M. Parrish, N.V. Hud, and C.D. Sherrill, “Quantum mechanical analysis of the energetic contributions to π stacking in nucleic acids versus Rise, Twist, and Slide,” J. Am. Chem. Soc., 135, 1306-1316 (2013)

E.G. Hohenstein, R.M. Parrish, C.D. Sherrill and T.J. Martínez, “Communication: Tensor hypercontraction III. Least-squares tensor hypercontraction for the determination of correlated wavefunctions,” J. Chem. Phys., 137, 221101 (2012)

R.M. Parrish, E.G. Hohenstein, T.J. Martínez and C.D. Sherrill, “Tensor hypercontraction II. Least-squares renormalization,” J. Chem. Phys., 137, 224106 (2012)

T. Körzdörfer, R.M. Parrish, N. Moram, J.S. Sears, C.D. Sherrill and J.L. Brédas, “Quasiparticle spectra from tuned range-separated hybrid density functionals,” Phys. Rev. B., 86, 205110 (2012)

T. Körzdörfer, R.M. Parrish, J.S. Sears, C.D. Sherrill and J.L. Brédas, “On the relationship between bond-length alternation and many-electron self-interaction error,” J. Chem. Phys., 137, 124305 (2012)

C. Zhao, R.M. Parrish, M.D. Smith, P.J. Pellechia, C.D. Sherrill and K.D. Shimizu, “Communication: Do deuteriums form stronger CH-π interactions?” J. Am. Chem. Soc., 134, 14306-14309 (2012)

E.G. Hohenstein, R.M. Parrish and T.J. Martínez, “Tensor hypercontraction density fitting I. Quartic scaling second and third order Møller-Plesset perturbation theory,” J. Chem. Phys., 137, 044103 (2012)

J.M. Turney, A.C. Simmonett, R.M. Parrish, E.G. Hohenstein, F. 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, “PSI4: An open-source ab initio electronic structure program,” WIREs Comput. Mol. Sci., 2, 556-565 (2012)

E.G. Hohenstein, R.M. Parrish, C. D. Sherrill, J. M. Turney and H.F. Schaefer, “Large-scale Symmetry-Adapted Perturbation Theory via density fitting and Laplace transformation techniques: application to the fundamental forces of DNA intercalation,” J. Chem. Phys., 135, 174107 (2011)

G.V. Gibbs, T.D. Crawford, A.F. Wallace, D.F. Cox, R.M. Parrish, E.G. Hohenstein, and C.D. Sherrill, “The role of long-range directed Lewis acid-base van der Waals interactions in the formation of nanoparticle clusters,” J. Phys. Chem. A., 115 (45), 12933–12940 (2011)


-Peter Salamon Scholarship, Telluride Science Reseach Center, 2014
-American Chemical Society Graduate Student Award in Computational Physical Chemistry, 2013
-1st Prize, Georgia Tech Chemistry and Biochemistry Graduate Research Symposium, 2013
-2nd Place Poster Prize, 7th Molecular Quantum Mechanics Conference, 2013
-Travel Award, Georgia Tech Research and Innovation Conference, 2013
-Young Researcher, Lindau Nobel Laureate Meeting in Physics, 2012
-1st Place, SETCA Student Poster Award, 2012
-2nd Place, SETCA Student Poster Award, 2011
-Stamps Leadership Scholar, President’s Scholarship Program, GT, 2007-2011,
-Whitehead Outstanding Senior Scholar, Faculty Honors, Mechanical Engineering, GT, 2010
-1st Prize in the Mechanical Engineering Senior Design Expo, GT, 2010