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Resumé
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A. Eugene DePrince
Currently: Postdoctoral Researcher
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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, 2011-2013
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) (doi: 10.1063/1.3585568)

``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) (doi: 10.1103/PhysRevLett.107.196806)

``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) (doi: 10.1002/smll.201100686)

``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) (doi: 10.1063/1.3283052)

``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) (doi: 10.1021/jz1010048)

``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) (doi: 10.1007/s11671-009-9511-7)

``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) (doi: 10.1063/1.3116789)

``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) (doi: 10.1021/jp805752f)

``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) (doi: 10.1063/1.2768354)

``Parametric Approach to Variational Two-electron Reduced-density-matrix Theory,'' A. E. DePrince and D. A. Mazziotti, Phys. Rev. A 76, 042501 (2007) (doi: 10.1103/PhysRevA.76.042501)

``Communication: Resolving the Three-Body Contribution to the Lattice Energy of Crystalline Benzene,'' M. R. Kennedy, A. Ringer McDonald, A. E. DePrince, M. S. Marshall, R. Podeszwa, and C. D. Sherrill, J. Chem. Phys. 140, 121104 (2014) (doi: 10.1063/1.4869686)

``Density-Fitted Singles and Doubles Coupled Cluster On Graphics Processing Units,'' A. E. DePrince, M. R. Kennedy, B. G. Sumpter, and C. D. Sherrill, Mol. Phys. 112, 844-852 (2014) (doi: 10.1080/00268976.2013.874599)

``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) (doi: 10.1021/ct400250u)

``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) (doi: 10.1021/ct300780u)

``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) (doi: 10.1021/ct100584w)

``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) (doi: 10.1109/SAAHPC.2011.28)

``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) (doi: 10.1063/1.3458641)


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