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Resumé
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A. Eugene DePrince
Currently: Postdoctoral Researcher
Office: MoSE 4201 Phone:
Mailing Address: Fax:
School of Chemistry and Biochemistry     E-mail:
Georgia Institute of Technology   Personal Page: Link
Atlanta, GA 30332-0400  
 
Educational Background
  • Ph.D. (Chemistry), University of Chicago, 2009
  • M.S. (Chemistry), University of Chicago, 2006
  • B.S. (Chemistry), University of Tennessee, 2005
Awards
  • Freud Scholar Fellowship, University of Chicago, 2005
  • NDSEG Research Fellowship, Department of Defense, 2005-2008
  • Computational Postdoctoral Fellowship, Argonne National Laboratory, 2010-2011
  • NSF American Competitiveness in Chemistry Postdoctoral Research Fellowship, 2011-present
Research Interests

     Developing efficient implementations of high-accuracy many-body methods, specifically the CCSD and CCSD(T) methods, for modern multicore and many-core architectures.

 
Representative Publications

``Testing the Parametric Two-electron Reduced-density-matrix Method with Improved Functionals: Application to the Conversion of Hydrogen Peroxide to Oxywater,'' C. A. Schwerdtfeger, A. E. DePrince, and D. A. Mazziotti, J. Chem. Phys. 134, 174102 (2011)

``Emergence of Excited-State Plasmon Modes in Linear Hydrogen Chains From Time-Dependent Quantum Mechanical Methods,'' A. E. DePrince, M. Pelton, J. R. Guest, and S. K. Gray, Phys. Rev. Lett. 107, 196806 (2011)

``Self-Assembled Large Au Nanoparticle Arrays with Regular Hot Spots for SERS,'' A. Chen, A. E. DePrince, A. Demortiere, A. Joshi-Imre, E. V. Shevchenko, S. K. Gray, U. Welp, and V. K. Vlasko-Vlasov, Small 7, 2365-2371 (2011)

``Exploiting the Spatial Locality of Electron Correlation Within the Parametric Two-electron Reduced-density-matrix Method,'' A. E. DePrince and D. A. Mazziotti, J. Chem. Phys. 132, 034110 (2010)

``Solvent-Mediated End-to-End Assembly of Gold Nanorods,'' Y. Wang, A. E. DePrince, S. K. Gray, X. Lin, and M. Pelton, J. Phys. Chem. Lett. 1, 2692-2698 (2010)

``Accurate Computation of Electric Field Enhancement Factors for Metallic Nanoparticles Using the Discrete Dipole Approximation,'' A. E. DePrince and R. J. Hinde, Nanoscale Res. Lett. 5, 592-596 (2010)

``Open-shell Molecular Electronic States From the Parametric Two-electron Reduced-density-matrix Method,'' A. E. DePrince and D. A. Mazziotti, J. Chem. Phys. 130, 164109 (2009)

``Molecular Geometries and Harmonic Frequencies From the Parametric Two-Electron Reduced Density Matrix Method with Application to the HCN <-> HNC Isomerization,'' A. E. DePrince and D. A. Mazziotti, J. Phys. Chem. B 112, 16158-16162 (2008)

``Cumulant Reconstruction of the Three-electron Reduced Density Matrix in the Anti-Hermitian Contracted Schrodinger Equation,'' A. E. DePrince and D. A. Mazziotti, J. Chem. Phys. 127, 104104 (2007)

``Parametric Approach to Variational Two-electron Reduced-density-matrix Theory,'' A. E. DePrince and D. A. Mazziotti, Phys. Rev. A 76, 042501 (2007)

``Accuracy and Efficiency of Coupled-Cluster Theory Using Density Fitting/Cholesky Decomposition, Frozen Natural Orbitals, and a T1-Transformed Hamiltonian,'' A. E. DePrince and C. D. Sherrill, J. Chem. Theory Comput. 9, 2687-2696 (2013)

``Accurate Noncovalent Interaction Energies Using Truncated Basis Sets Based On Frozen Natural Orbitals,'' A. E. DePrince and C. D. Sherrill, J. Chem. Theory Comput. 9, 293-299 (2013)

``Coupled Cluster Theory On Graphics Processing Units I. The Coupled Cluster Doubles Method,'' A. E. DePrince and J. R. Hammond, J. Chem. Theory Comput. 7, 1287-1295 (2011)

``Quantum Chemical Many-Body Theory On Heterogeneous Nodes,'' A. E. DePrince and J. R. Hammond, 2011 Symposium on Application Accelerators in High-Performance Computing (SAAHPC) 132, 131-140 (2011)

``Isomerization of Nitrosomethane to Formaldoxime: Energies, Geometries, and Frequencies From the Parametric Variational Two-electron Reduced-density-matrix Method,'' A. E. DePrince and D. A. Mazziotti, J. Chem. Phys. 133, 034112 (2010)


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