Joseph P. Kenny

Scalable Computing R&D
Sandia National Laboratories

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.

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. My current position has allowed me to explore a wide range of topics including data mining and embedded systems projects.

• Massively Parallel Quantum Chemistry
• CCA Chemistry Component Toolkit
• Performance Tools
• PSI quantum chemistry package

• J. P. Kenny, C. L. Janssen, M. S. Gordon, M. Sosonkina, and T. L. Windus "A Component Approach to Collaborative Scientific Software Development: Tools and Techniques Utilized by the Quantum Chemistry Science Application Partnership," Scientific Computing, submitted.



• F. Peng, M. Wu, M. Sosonkina, T. Windus, J. Bentz, M. Gordon, J. Kenny, C. Janssen "Tackling Component Interoperability in Quantum Chemistry Software," In Proc. 2007 Symposium on Component and Framework Technology in High-Performance Computing (2007).



• J. P. Kenny, C. L. Janssen, E. F. Valeev, and T. L. Windus, "Components for Integral Evaluation in Quantum Chemistry," Journal of Computational Chemistry 29, 562-577 (2008)



• T. D. Crawford, C. D. Sherrill, E. F. Valeev, J. T. Fermann, R. A. King, M. L. Leininger, S. T. Brown, C. L. Janssen, E. T. Seidl, J. P. Kenny, and W. D. Allen, "PSI3: An Open Source Ab Initio Electronic Structure Package," Journal of Computational Chemistry 28, 1610-1616 (2007).



• T. G. Kolda, B. W. Bader, and J. P. Kenny,"Higher-order web link analysis using multilinear algebra," In Proc. IEEE Intl. Conf. on Data Mining (ICDM05) (2005). pdf



• J. P. Kenny, S. J. Benson, Y. Alexeev, J. Sarich, C. L. Janssen, L. Curfmann McInnes, M. Krishnan, J. Nieplocha, E. Jurrus, C. Fahlstrom, and T. L. Windus, "Component-Based Integration of Chemistry and Optimization Software," Journal of Computational Chemistry 25, 1717-1725 (2004).



• J. P. Kenny, W. D. Allen, and H. F. Schaefer, "Complete Basis Set Limit Studies of Conventional and R12 Correlation Methods: The Silicon Dicarbide (SiC₂) Barrier to Linearity," Journal of Chemical Physics 118, 7353-7365 (2003).



• J. F. Harrison and J. P. Kenny, "Theoretical Study of Sc++, Ti++, V++, Cr++, and Mn++, Bound to H₂", Journal of Physical Chemistry A 106, 9862-9867 (2002).



• B. Galabov, J. P. Kenny, H. F. Schaefer, and J. R. Durig, "Conformational Stability of 3-Fluoropropene: A Challenging Problem for Both Theory and Experiment", Journal of Physical Chemistry A 106, 3625-3628 (2002).



• J. P. Kenny, K. M. Krueger, J. C. Rienstra-Kiracofe, and H. F. Schaefer, "C₅H₄: Pyramidane and Its Low Lying Isomers," Journal of Physical Chemistry A 105, 7745-7750 (2001).



• J. P. Kenny, R. B. King, and H. F. Schaefer, "Cobalt-Cobalt Multiple Bonds in Homoleptic Carbonyls? Co₂(CO)_x (x=8,7,6,5) Structures, Energetics and Vibrational Spectra," Journal of Inorganic Chemistry 40, 900-911 (2001).

• S. Parker, R. Armstrong, D. Bernholdt, T. Dahlgren, T. Epperly, J. Kenny, M. Krishnan, G. Kumfert, J. Larson, L. Curfman McInnes, J. Nieplocha, J. Ray, and S. Sasharina "Enabling Advanced Scientific Computing Software," CT Watch Quarterly 3, 11-17 (2007).



• L. Curfman McInnes, T. Dahlgren, J. Nieplocha, D. Bernholdt, B. Allan, R. Ar mstrong, D. Chavarria, W. Elwasif, I. Gorton, J. Kenny, M. Krishan, A. Malony, B . Norris, J. Ray, and S. Shende "Research Initiatives for Plug-and-Play Scientific Computing," Journal of Physics: Conference Series 78 (2007). pdf



• C. L. Janssen, J. P. Kenny, I. M. B. Nielsen, M. Krishnan, V. Gurumoorthi, E. F. Valeev and T. L. Windus "Enabling new capabilities and insights from quantum chemistry by using component architectures," Journal of Physics: Conference Series 46, 220-228 (2006). pdf



• L. McInnes, J. Ray, R. Armstrong, T. Dahlgren, A. Malony, B. Norris, S. Shende, J. Kenny, and J. Steensland, "Computational Quality of Service for Scientific CCA Applications: Composition, Substitution, and Reconfiguration," Argonne National Laboratory preprint ANL/MCS-P1326-0206 (2006).



• Y. Alexeev, B. A. Allan, R. C. Armstrong, D. E. Bernholdt, T. L. Dahlgren, D. Gannon, C. L. Janssen, J. P. Kenny, M. Krishnan, J. A. Kohl, G. Kumfert, L. Curfman McInnes, J. Nieplocha, S. G. Parker, G. Rasmuseen, and T. L. Windus, "Component-Based Software for High-Performance Scientific Computing," Journal of Physics: Conference Series 16, 536-540 (2005). pdf