Stephen Elbert
Steve Elbert
Organization
Computational Sciences and Mathematics Division of the Computational and Information Sciences Directorate
Pacific Northwest National Laboratory
PO Box 999, MSIN: K7-36
Richland, WA 99352
509.375.2504
E-mail: Steve.Elbert@pnl.gov
Current Activities and Projects
Dr. Stephen Elbert joined the Pacific Northwest National Laboratory (PNNL) in 2004. He led the acquisition of NW-ICE for the Energy Smart Data Center (ESDC) project and is PI or co-PI on over $125 million worth of proposals to install additional high performance computing at PNNL. He is a technical advisor for the Productivity Thrust for the National Security Agency’s Advanced Computing Systems program.
Past Experience
Dr. Elbert began his career at DOE’s Ames Laboratory as a computational chemist, where he was one of the principal authors of GAMESS, which currently has over 6,000 citations and 15,000 registered users. In 1991 he won an R&D 100 award for the SLALOM benchmark. He was a program manager at DOE (1992-1993) for the High Performance Computing Research Centers and for High Performance Communications R&D activities and served as Executive Director of the ESnet Steering Committee.
In 1994 he returned to Ames as the Director of the Scalable Computing Lab, which operated a wide variety of innovative systems including a 4096-processor Maspar MP-2, a 256-processor nCUBE and a 47-processor Paragon as well as number of innovative workstation clusters, including the first to use Gigabit Ethernet. Other innovations included a city-wide wireless network that became a model for an inexpensive communications infrastructure in rural Iowa school districts. In 1997 he returned to DOE as the Grand Challenge Applications program manager. In 1998 he moved to the National Science Foundation as director of the $70 million PACI program and the $36 million Terascale Computing System solicitation.
In 2000 he joined Andrew Chen in the creation of Entropia as the Director of Applications. Entropia produced desktop grid software for which Dr. Elbert developed performance models and evaluated and deployed applications such as BLAST, HMMER, Paup*, DOCK, GOLD, GAMESS, and Gaussian. In 2003 Steve joined IBM as a Senior Solutions Scientist responsible for the development of IT solutions for Life Sciences R&D in government research labs world wide as well as the development of strategic partnerships between IBM and DOE labs involved with the Genomics:GTL program.
Education and Credentials
- B.S. Chemistry, Iowa State University
- Ph.D. Computational Chemistry, University of Washington
- Post-Doctoral Research Associate at the University of Bonn
Publications
Resource Management in the Entropia Desktop Grid System. S. Marlin, S. Elbert, and A. Chien. Chapter in Grid Resource Management, Editors: Weglarz, Nabryzski, Schopf, and Stroinski, Kluwer Press. 2003.
Entropia: architecture and performance of an enterprise desktop grid system. Journal of Parallel and Distributed Computing, Volume 63, Issue 5, May 2003, Pages 597-610. Andrew Chien, Brad Calder, Stephen Elbert and Karan Bhatia.
QMView and GAMESS: Integration into the World Wide Computational Grid. K.K. Baldridge, S.T. Elbert, J.P. Greenberg. SC2002 Proceedings, November (2002).
High Throughput Computational Chemistry Using Desktop Grids. S.T. Elbert, A.A. Chien. WATOC’02 Proceedings, July (2002).
Achieving non-repudiation of Web based transactions. M. Kalla, J. S.K. Wong, A. R. Mikler, S. T. Elbert. Journal of Systems and Software, 48 (3), pp. 165-175 (1999).
Experiences with Gigabit Ethernet. S.T. Elbert. Fall COMDEX Proceedings, November (1997).
Gigabit Ethernet and Low-Cost Supercomputing. S.T. Elbert, Q. Snell, A.R. Mikler, G. Helmer, C. Csanady, K. Stearns, B. MacLeod, M. Johnson, B. Osborn, I. Verigin. Ames Laboratory Technical Report 5126 (1997).
SCinet: Breaking New Grounds in Network Performance. S.T. Elbert. Supercomputing ’94 Proceedings, November (1994).
General Atomic and Molecular Electronic Structure System (GAMESS). M.W. Schmidt, K.K. Baldridge, J.A. Boatz, S.T. Elbert, M.S. Gordon, J.H. Jensen, S. Koseki, N. Matsunaga, K.A. Nguyen, S. Su, T.L. Windus, M. Dupuis, J.A. Montgomery. Journal of Computational Chemistry, 14, pp. 1347-63 (1993).
Requirements for Supercomputing in Energy Research: The Transition to Massively Parallel Computing. C.W. McCurdy, S. T. Elbert, J. A. Beyers. U.S. Department of Energy Publication DOE/ER-0587, February 1993.
Requirements for Supercomputing in Energy Research: The Transition to Massively Parallel Computing. C.W. McCurdy, S. T. Elbert, J. A. Beyers. U.S. Department of Energy Publication DOE/ER-0587, February 1993.
Potential Energy Surfaces of Ozone I. S.S. Xantheas, G.J. Atchity, S.T. Elbert, K. Ruedenberg. Journal of Chemical Physics, 94, pp. 8054-8069 (1991).
The Design of a Scalable, Fixed-Time Computer Benchmark. J. Gustafson, D. Rover, S.T. Elbert, M. Carter. Journal of Parallel and Distributive Computing, 12, pp. 388-401 (1991).
SLALOM: Is Your Computer on the List? J. Gustafson, D. Rover, S. T. Elbert, M. Carter. Supercomputing Review, 4(7), pp. 52-59 (1991).
The Ring Opening of Cyclopropylidene to Allene: Key Features of the Accurate Reaction Surface. S. Xantheas, S.T. Elbert, K. Ruedenberg. Theoretica Chimica Acta 78, pp. 365-396 (1991).
The Ring Opening of Cyclopropylidene to Allene: Global Features of the Reaction Surface. P. Valtazanos, S.T. Elbert, S. Xantheas, K. Ruedenberg. Theoretica Chimica Acta 78, pp. 287-326 (1991).
General Atomic and Molecular Electronic Structure System (GAMESS). M.W. Schmidt. K.K. Baldridge, J.A. Boatz, J.H. Jensen, S. Koseki, M.S. Gordon, K.A. Nguyen, T.L. Windus, S.T. Elbert. QCPE Bulletin 10, pp. 52-54 (1990).
SLALOM: The First Scalable Supercomputer Benchmark. J. Gustafson. D. Rover, S.T. Elbert, M. Carter. Supercomputing Review 3 (11), pp. 56-61 (1990).
An Intersection Seam Between the Ground State of Ozone and an Excited State of Like Symmetry. S. Xantheas, S. T. Elbert, K. Ruedenberg. Journal of Chemical Physics 93, pp. 7519-7521 (1990).
The Potential Energy Surface of the Ground State of Carbon Dioxide. S.S. Xantheas, S.T. Elbert, K. Ruedenberg. Chemical Physics Letters 166, pp. 39-42 (1990).
Extracting More than a Few Eigenvectors from a Dense Real Symmetric Matrix: Optimal Algorithms versus the Architectural Constraints of the FPS-X64. S.T. Elbert. Theoretica Chimica Acta 71, pp. 169-186 (1987).
Generation of a Full Active Configuration Space Basis in Terms of Symmetry- and Spin-Adapted Antisymmetrized Orbital Products. M.-T. B. Lam, S.T. Elbert, K. Ruedenberg. International Journal of Quantum Chemistry 31, pp. 489-505 (1987).
Ring Opening of Cyclopropylidenes to Allenes: Reactions with Bifurcating Transition Regions, Free Internal Motions, Steric Hindrances, and Long-Range Dipolar Interactions. P. Valtazanos, S.T. Elbert, K. Ruedenberg. Journal of American Chemical Society, 108, pp. 3147-3149 (1986).
Chemical Binding and Electron Correlation in Diatomic Molecules as Described by the FORS Model and the FORS-IACC Model. M.W. Schmidt, M.-T. B. Lam, S.T. Elbert, K. Ruedenberg. Theoretica Chimica Acta 68, pp. 69-86 (1985).
Are Atoms Intrinsic to Molecular Electronic Wavefunctions? III. Analysis of FORS Configurations. K. Ruedenberg, M.W. Schmidt, M.M. Gilbert, S.T. Elbert. Chemical Physics 71, pp. 65-78 (1982).
Are Atoms Intrinsic to Molecular Electronic Wavefunctions? I. The FORS Model. K. Ruedenberg, M.W. Schmidt, M.M. Gilbert, S.T. Elbert. Chemical Physics 71, pp. 41-49 (1982).
MCSCF Optimization through Combines Use of Natural Orbitals and the Brillouin-Levy-Berthier Theorem. K. Ruedenberg, L.M. Cheung, S.T. Elbert. International Journal of Quantum Chemistry, 16, p. 1069 (1979).
The Four-Index Integral Transformation. S.T. Elbert. Proceedings of the NRCC Workshop on Numerical Algorithms in Chemistry: Algebraic Methods, C. Moler, I. Shavitt ed., pp. 129-141 (1978).
All-Valence-Electron CI Calculations on the Electronic Spectrum of Diborane. S.T. Elbert, S.D. Peyerimhoff, R. J. Buenker. Chemical Physics 11, pp. 25-40 (1975).
Ab Initio Calculations on Urea. S.T. Elbert, E. R. Davidson. International Journal of Quantum Chemistry 8, pp. 857-892 (1974).
Evaluation of Electron Repulsion Integrals over Gaussian Lobe Basis Functions. S.T. Elbert, E.R. Davidson. Journal of Computational Physics 16, pp. 391-395 (1974).
The 1A1 Pi-Pi* State of Formaldehyde. S.R. Langhoff, S.T. Elbert, C.F. Jackels, E.R. Davidson. Chemical Physics Letters, 29 pp. 247-249 (1974).
A Configuration Interaction Study of the Spin Dipole-Dipole Parameters for Formaldehyde and Methylene. S.R. Langhoff, S.T. Elbert, E.R. Davidson. International Journal of Quantum Chemistry 7, pp. 999-1019 (1973).
Selection of Proper Canonical Orbitals. II. Water. S.T. Elbert, S.R. Langhoff, E.R. Davidson. J. Chemical Physics 57, pp. 2005-2008 (1972).