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Hometown: Angleton, Texas

B.S. in Chemistry
Sam Houston State University
Huntsville, Texas

Ph.D. in Physical Chemistry, 2006
The University of Georgia
Athens, Georgia

jtturney@uga.edu

Research Interests

My current research involves:

  • the development of ab initio quantum mechanical methods that could potentially be applied to presently inaccessible chemical systems
  • applying ab initio quantum chemical techniques to a wide variety of molecular species with multi-reference character
  • efficient implementations of quantum chemical models on modern high-performance computing hardware.
    I am also the lead author of the PSI4 quantum chemistry package and actively working on algorithms to be used in the refactoring of existing and new quantum chemical methods.

    1. "The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them"
      Turney, J. M.; Sari, L.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 2005, 122, 094304
    2. "Does GaH_5 exist?"
      Speakman, L. D.; Turney, J. M.; Schaefer, H. F. J. Chem. Phys. 2005, 123, 204303
    3. "Rovibrational energy levels for the electronic ground state of AlOH"
      Handy, N. C.; Carter, S.; Yamaguchi, Y.; Li, S.; Turney, J. M.; Schaefer, H. F. Chem. Phys. Lett. 2006, 427, 14-17
    4. "Characterization of singlet ground and low-lying electronic excited states of phosphaethyne and isophosphaethyne"
      Ingels, J. B.; Turney, J. M.; Richardson, N. A.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 2006, 125, 104306
    5. "The deprotonation energies of BH_5 and AlH_5: Comparisons to GaH_5"
      Speakman, L. D.; Turney, J. M.; Schaefer, H. F. Chem. Phys. 2007, 72, 396-402
    6. "The nearly degenerate triplet electronic ground state isomers of lithium nitroxide"
      Turney, J. M.; Schaefer, H. F. Collect. Czech. Chem. Commun. 2007, 72, 129-152
    7. "Vibrational energy levels for the electronic ground state of the diazocarbene (CNN) molecule"
      Carter, S.; Handy, N. C.; Yamaguchi, Y.; Turney, J. M.; Schaefer, H. F. Mol. Phys. 2008, 106, 357-365
    8. "Toward the observation of quartet states of the ozone radical cation: Insights from coupled cluster theory"
      Speakman, L. D.; Turney, J. M.; Schaefer, H. F. J. Chem. Phys. 2008, 128, 214302
    9. "The barrier hight, unimolecular rate constant, and lifetime for the dissociation of HN_2"
      Bozkaya, U.; Turney, J. M.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 2010, 132, 064308
    10. "Reaction energetics for the abstraction process C_2H_3 + H_2 -> C_2H_4 + H"
      Agarwal, J.; Turney, J. M.; Schaefer, H. F. J. Phys. Chem. Lett. 2011, 2, 2587-2592
    11. "Quadratically convergent algorithm for orbital optimization in the orbital- optimized coupled-cluster doubles method and in orbital-optimized second- order Møller-Plesset perturbation theory"
      Bozkaya, U.; Turney, J. M.; Yamaguchi, Y.; Schaefer, H. F.; Sherrill, C. D. J. Chem. Phys. 2011, 135, 104103
    12. "Large-scale symmetry-adapted perturbation theory computations via density fitting and Laplace transformation techniques: Investigating the fundamental forces of DNA-intercalator interactions"
      Hohenstein, E. G.; Parrish, R. M.; Sherrill, C. D.; Turney, J. M.; Schaefer, H. F. J. Chem. Phys. 2011, 135, 174107
    13. "PSI4: an open-source ab initio electronic structure program"
      Turney, J. M.; Simmonett, A. C.; Parrish, R. M.; Hohenstein, E. G.; Evangelista, F.; Fermann, J. T.; Mintz, B. J.; Burns, L. A.; Wilke, J. J.; Abrams, M. L.; Russ, N. J.; Leininger, M. L.; Janssen, C. L.; Seidl, E. T.; Allen, W. D.; Schaefer, H. F.; King, R. A.; Valeev, E. F. ;Sherrill, C. D.; Crawford, T. D. WIREs Comput. Mol. Sci. 2011, 2, 556-565
    14. "The lowest-lying electronic singlet and triplet potential energy surfaces for the HNO–NOH system: Energetics, unimolecular rate constants, tunneling and kinetic isotope effects for the isomerization and dissociation reactions"
      Bozkaya, U.; Turney, J. M.; Yamaguchi, Y.; Schaefer, H. F. J. Chem. Phys. 2012, 136, 164303
    15. "The ethyl radical in superfluid helium nanodroplets: Rovibrational spectroscopy and ab initio computations"
      Raston, P. L.; Agarwal, J.; Turney, J. M.; Schaefer, H. F.; Douberly, G. E. J. Chem. Phys. 2013, 138, 194303