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Fellowship Years: 2005-2009
School Attended: University of Chicago
Field of Study: Theoretical and computational chemistry
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Practicum Experience: |
Pacific Northwest National Laboratory 2006
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Degree(s): |
Ph.D. Chemistry, University of Chicago, 2009
M.S. Chemistry, University of Chicago, 2004
B.S. Chemistry & B.A. Mathematics, University of Washington, 2003 |
Status: Director's Postdoctoral Fellow, Argonne Leadership Computing Facility
Contact: jhammond@anl.gov
Personal web site (URL): http://www.linkedin.com/in/jeffhammond
Research area: Computational Chemistry on Supercomputers, Asynchronous Programming Models
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Awards: |
DOE-CSGF Poster Award - Honorable Mention (Summer 2009)
Director's Postdoctoral Fellowship - Argonne National Laboratory (2009 - 2010)
Doolittle-Harrison Travel Award - The University of Chicago Office of Graduate Affairs (Spring 2009)
Chemical Computing Group Excellence Award - American Chemistry Society Division of Computers in Chemistry (Spring 2008)
Joan Shiu Award for Student Service - University of Chicago Chemistry Department (2006)
Freud Departmental Citizenship Award - University of Chicago Chemistry Department (2005)
McCormick Fellow - University of Chicago Physical Sciences Division (2003 - 2005)
Mary Gates Research Training Grant - University of Washington (Winter, Spring & Summer 2003)
William O. Douglas Scholar - Whitman College (1999) |
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Publications: |
Argonne National Lab (2009-present)
15. R. S. Assary, P. C. Redfern, J. R. Hammond, J. Greeley and L. A. Curtiss, Chem. Phys. Lett., accepted (2010). "Predicted Thermochemistry for Chemical Conversion of 5-Hydroxymethyl Furfural."
14. R. S. Assary, P. C. Redfern, J. R. Hammond, J. Greeley and L. A. Curtiss, J. Phys. Chem. B, 114, 9002 (2010). "Computational Studies of the Thermochemistry for Conversion of Glucose to Levulinic Acid."
13. K. Kowalski, S. Krishnamoorthy, O. Villa, J. R. Hammond, and N. Govind, J. Chem. Phys. 132, 154103 (2010). "Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer."
12. J. R. Hammond, N. Govind, K. Kowalski, J. Autschbach and S. S. Xantheas, J. Chem. Phys. 131, 214103 (2009). "Accurate dipole polarizabilities for water clusters N=2-12 at the coupled-cluster level of theory and benchmarking of various density functionals."
Pacific Northwest National Lab (2006-2009)
11. J. R. Hammond and K. Kowalski, J. Chem. Phys. 130, 194108 (2009). "Parallel computation of coupled-cluster hyperpolarizabilities."
10. K. Kowalski, J. R. Hammond, W. A. de Jong and A. J. Sadlej, J. Chem. Phys. 129, 226101 (2008). "Coupled cluster calculations for static and dynamic polarizabilities of C60."
9. J. R. Hammond, W. A. de Jong and K. Kowalski, J. Chem. Phys. 128, 224102 (2008). "Coupled cluster dynamic polarizabilities including triple excitations."
8. K. Kowalski, J. R. Hammond and W. A. de Jong, J. Chem. Phys. 127, 164105 (2007). "Linear response coupled cluster singles and doubles approach with modified spectral resolution of the similarity transformed Hamiltonian."
7. J. R. Hammond, K. Kowalski and W. A. de Jong, J. Chem. Phys. 127, 144105 (2007). "Dynamic polarizabilities of polyaromatic hydrocarbons using coupled-cluster linear response theory."
6. J. R. Hammond, M. Valiev, W. A. de Jong and K. Kowalski, J. Phys. Chem. A 111, 5492 (2007). "Calculations of properties using a hybrid coupled-cluster and molecular mechanics approach."
The University of Chicago (2004-2009)
5. R. K. Chaudhuri, J. R. Hammond, K. F. Freed, S. Chattopadhyay and U. S. Mahapatra, J. Chem. Phys. 129, 064101 (2008). "Reappraisal of cis effect in 1,2-dihaloethenes: An improved virtual orbital multireference approach."
4. J. R. Hammond and D. A. Mazziotti, Phys. Rev. A 73, 062505 (2006). "Variational reduced-density-matrix calculation of the one-dimensional Hubbard model."
3. J. R. Hammond and D. A. Mazziotti, Phys. Rev. A 73, 012509 (2006). "Variational reduced-density-matrix calculations on small radicals: a new approach to open-shell ab initio quantum chemistry."
2. J. R. Hammond and D. A. Mazziotti, Phys. Rev. A 71, 062503 (2005). "Variational two-electron reduced-density-matrix theory: Partial 3-positivity conditions for N-representability."
University of Washington (2002-2003)
1. M. Lingwood, J. R. Hammond, D. A. Hrovat, J. M. Mayer, and W. T. Borden, J. Chem. Theo. Comp. 2, 740 (2006). "MPW1K, rather than B3LYP, should be used as the functional for DFT calculations on reactions that proceed by proton-coupled electron transfer (PCET)."
Software
NWChem: 5.1 (2007), 5.1.1 (2009) and 6.0 (2010). Home Page
Theses
Coupled-cluster response theory: parallel algorithms and novel applications. University of Chicago Doctoral Thesis (May 2009).
Evaluating the Bishomoaromatic Nature of Diaminodiformylsemibullvalene. University of Washington Honors Bachelors Thesis (August 2003). |
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