Joseph P. Kenny
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Joseph P. Kenny
Professional Objective
To further scientific progress through the application of advances in high performance computing to novel computational methods
Education
Ph.D. Chemistry
University of Georgia, May 2003 G.P.A. 3.67
Graduate Advisor: Professor Henry F. Schaefer III
Dissertation: “Explicitly Correlated, Linear R12 Electronic Structure
Theory: Next-Generation Methods for Subchemical Accuracy”
B.S. Chemical Physics
Honors College, Michigan State University, August 1999 G.P.A. 3.68
Research Advisor: Professor James F. Harrison
Technical Experience:
Experience in object-oriented programming and abstract interface design.
Proficiency in the C/C++, Python and Perl programming languages
Experience programming in MPI, Global Arrays and OpenMP high-performance parallel environments
Competence in Linux/Unix system installation and administration
Research Experience
Member of Technical Staff (Postdoctoral Appointee) – Scalable Computing Research and Development, Sandia National Laboratories, Livermore, CA – July 2005 to present (June 2003 to July 2005)
Development of the Massively Parallel Quantum Chemistry (MPQC) package, object oriented software designed for scalable performance on a wide range of computer architectures. Produced MPQC-based and generic chemistry components for use in the Common Component Architecture (CCA). Technical leadership of multi-lab CCA chemistry project: design of standard interfaces for interoperation of chemistry (MPQC and NWChem) and mathematics (TAO) codes, and primary architect/maintainer of common software. Developed the backend for a Python/Qt graphical user interface.
Collaborated with members of Mathematics and Computer Science Department in data mining research. Developed internal and external (Internet Archive, Yahoo!, Academia) contacts in addition to providing custom software for parsing and processing web crawl data.
Diverse contributions to coworker-led research: friendly user, troubleshooter and demonstrator of development Linux clusters, storage networks and multiple middleware/tools projects.
Research Assistant – Center for Computational Quantum Chemistry, University of Georgia, Athens, GA – July 1999 to May 2003
Research in quantum theory and the practical implementation of computational methods including explicitly correlated methods, coupled-cluster and perturbative correlation methods, and density functional theory
Participated in the development of the PSI 3 quantum chemistry package. Projects included development of an object oriented molecular structure optimizer.
Research Experience for Undergraduates – Department of Chemistry, Michigan State University, East Lansing, MI, June 1998 to June 1999
Performed computational studies of small transition metal complexes.
Systems Administration Experience
Computer Systems Administrator – Center for Computational Quantum Chemistry, University of Georgia, Athens, GA – January 2001 to May 2003
Primary administrator of Linux/PC system and secondary administrator of an IBM AIX system
Teaching and Administrative Experience
Teaching Assistant/Guest Lecturer – Department of Chemistry, University of Georgia, August 1999 – May 2003
Teaching assistant for graduate level course in advanced quantum mechanics. Presented lectures introducing graduate students to scientific programming. Instructor for regular and honors level general chemistry laboratory.
Summer Program Director – Center for Computational Quantum Chemistry, University of Georgia, September 2001– September 2002
Directed summer program for undergraduate students. Responsibilities included candidate selection, coordinating research program, and designing promotional materials.
Peer-Reviewed Publications and Conference Proceedings
“Component-Based Integration of Chemistry and Optimization Software,” Joseph P. Kenny, Steven J. Benson, Yuri Alexeev, Jason Sarich, Curtis L. Janssen, Lois Curfman McInnes, Manojkumar Krishnan, Jarek Nieplocha, Elizabeth Jurrus, Carl Fahlstrom, and Theresa L. Windus, Journal of Computational Chemistry 25, 1717-1725 (2004).
“Higher-Order Web Link Analysis Using Multilinear Algebra,” Tamara G. Kolda, Brett W. Bader, and Joseph P. Kenny, In Proceedings of IEEE International Conference on Data Mining (ICDM05), Houston, Texas, November 27-30, 2005.
“Complete Basis Set Limit Studies of Conventional and R12 Correlation Methods: The Silicon Dicarbide (SiC2) Barrier to Linearity,” Joseph P. Kenny, Wesley D. Allen and Henry F. Schaefer, Journal of Chemical Physics 118, 7353-7365 (2003).
“Theoretical Study of Sc++, Ti++, V++, Cr++, and Mn++, Bound to H2,” James F. Harrison and Joseph P. Kenny, Journal of Physical Chemistry A 106, 9862-9867 (2002).
“Conformational Stability of 3-Fluoropropene: A Challenging Problem for Both Theory and Experiment,” Boris Galabov, Joseph P. Kenny, Henry F. Schaefer, and James R. Durig, Journal of Physical Chemistry A 106, 3625-3628 (2002).
“C5H4: Pyramidane and its Low Lying Isomers,” Joseph P. Kenny, Karl M. Krueger, Jonathan C. Rienstra-Kiracofe, and Henry F. Schaefer, Journal of Physical Chemistry A 105, 7745-7750 (2001).
“Cobalt-Cobalt Multiple Bonds in Homoleptic Carbonyls? Co2(CO)x (x=8,7,6,5) Structures, Energetics, and Vibrational Spectra,” Joseph P. Kenny, R. Bruce King, and Henry F. Schaefer, Inorganic Chemistry 40, 900-911 (2001).
Awards & Honors
Best Use of StorCloud to Advance a Scientific Application – Super Computing 2004, Pittsburgh, PA, November 2004
Douglas R. Hartree Fellow – Center for Computational Quantum Chemistry, University of Georgia, August 1999 – May 2003
Thomas J. Watson Fellow – IBM, September 1995 – May 1999
National Merit Scholarship – Michigan State University, September 1995 – May 1999
Henry L. Richmond Fellow – Department of Chemistry, University of Georgia, May 2000
K. W. Whitten Award for Outstanding Graduate Teaching Assistant – Department of Chemistry, University of Georgia, May 2001
Current Research Interests
I hold a broad interest in the application of modern high performance computing techniques to challenging scientific problems. The surge in raw computational power witnessed during the last several decades continues to allow the pursuit of solutions to ever-more complex problems, but in many areas raw computational power itself is not enough. The most challenging computational problems will find tractable solutions only through the development of insightful and efficient computational methods coupled with intelligent use of high performance computing techniques. Quantum chemistry is one field where the full potential of the underlying principles will only be realized through further advancement of both theoretical models and their practical implementation. As a computational scientist, my field of specialization is computational quantum chemistry.
Recently, my primary research focus has been the use of component technology in scientific programming. Using computational chemistry as the application prototype, it has been demonstrated that component standards and frameworks, in conjunction with language interoperability tools, allow and promote interface standardization and code interoperability, while introducing minimal computational overhead. Beyond simple interchangeability, my latest work on low level integrals components promises true interoperability between chemistry codes and provides a path towards new methods which would have been impractical without component technology.
Computational chemistry serves as a fantastic test bed for high performance computing and my experience in the chemistry field holds an invaluable role in guiding my research into applied computer science. It is, however, the broad field of computational science which holds the greatest allure for me. I greatly appreciate the diverse experiences and interests of my current coworkers, and the opportunity to form collaborations and explore new research areas. I have recently participated in a data mining research project, the language-based nature of which has been an interesting contrast to more familiar numerical methods. I look forward to expanding my skills and knowledge base, both within scientific applications and regarding general high performance computing hardware and system level programming.