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Berhane Temelso
Group Position: Graduate Student
Currently: Postdoc, Bucknell University
Office: Phone: 912-401-4990
Mailing Address: Fax:
219 Rooke Chemistry     E-mail:
Bucknell University   Personal Page: Link
Lewisburg, PA 17837  
Educational Background
  • B. A. in Physics, Berea College
  • Ph.D. in Chemistry, Georgia Tech
PhD. Thesis

     Computation of Molecular Properties at the Ab Initio Limit

  • Foresight Institute Distinguished Student in Nanotechnology Award, 2006
  • 3rd place, Graduate Awards Symposium, School of Chemistry and Biochemistry, Georgia Tech, 2006
  • Sanibel Symposium Poster Award, St. Simons Island, GA, 2005
  • Cherry Emerson Fellow, Georgia Tech, 2002-2004
  • Waldermar Noll Award in Physics, Berea College, 2001
Research Interests

     Developing and applying ab initio electronic structure methods

Representative Publications

``The Importance and Reliability of Small Basis Set CCSD(T) Corrections to MP2 Binding and Relative Energies of Water Clusters,'' B. Temelso, C. R. Renner, and G. C. Shields, J. Chem. Theory Comput. X, X (2015) (doi: 10.1021/ct500944v)

``Characterization of the Electronic States of the Phosphaethyne Cation (HCP+),'' B. Temelso, N. A. Richardson, L. Sari, Y. Yamaguchi, and H. F. Schaefer, J. Theor. Comp. Chem. 4, 707 (2005)

``Isotopic Ratios in Titan's Methane: Measurements and Modeling,'' C. A. Nixon, B. Temelso, S. Vinatier, N. A. Teanby, B. Bezard, R. K. Achterberg, K. E. Mandt, C. D. Sherrill, P. G. J. Irwin, D. E. Jennings, P. N. Romani, A. Coustenis, and F. M. Flasar, Astrophys. J. 749, 159 (2012) (doi: 10.1088/0004-637X/749/2/159)

``Ab Initio Thermochemistry of the Hydrogenation of Hydrocarbon Radicals Using Silicon-, Germanium-, Tin-, And Lead-Substituted Methane and Isobutane,'' B. Temelso, C. D. Sherrill, R. C. Merkle, and R. A. Freitas, J. Phys. Chem. A 110, 8677-8688 (2007) (doi: 10.1021/jp071797k)

``High-Level Ab Initio Studies of Hydrogen Abstraction From Prototype Hydrocarbon Systems,'' B. Temelso, C. D. Sherrill, R. C. Merkle, and R. A. Freitas, J. Phys. Chem. A 110, 11160-11173 (2006) (doi: 10.1021/jp061821e)

``Hybrid Correlation Models Based On Active-space Partitioning: Seeking Accurate O(N5) Ab Initio Methods for Bond Breaking,'' A. D. Bochevarov, B. Temelso, and C. D. Sherrill, J. Chem. Phys. 125, 054109 (2006) (doi: 10.1063/1.2222350)

``High Accuracy Ab Initio Studies of Li6+, Li6-, and Three Isomers of Li6,'' B. Temelso and C. D. Sherrill, J. Chem. Phys. 122, 064315 (2005) (doi: 10.1063/1.1846671)

``A Comparison of One-Particle Basis Set Completeness, Higher-Order Electron Correlation, Relativistic Effects, And Adiabatic Corrections for Spectroscopic Constants of BH, CH+, and NH,'' B. Temelso, E. F. Valeev, and C. D. Sherrill, J. Phys. Chem. A 108, 3068-3075 (2004) (doi: 10.1021/jp036933+)

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