Papers/Book Chapters/Talks

• James S. Sims, Stanley A. Hagstrom, "High Precision Hy-CI Variational Calculations for the Ground State of Neutral helium and Heliumlike ions", accepted for publication in the International Journal of Quantum Chemistry.

• Alex L. Ankudinov, Charles E. Bouldin, John J. Rehr, James S. Sims, Howard K. Hung, "Parallel Calculation of Electron Multiple Scattering using Lanczos Algorithms", Physical Review B, 65(10), 2002.
  Click this for a pdf version.

• Charles E. Bouldin, James S. Sims, Howard K. Hung, John J. Rehr, Alex L. Ankudinov, "Rapid Calculation of X-ray absorption near edge structure using parallel computing", Journal of X-ray Spectroscopy, 2001; 30:431-434.

• John Hagedorn, Judith Devaney, "A Genetic Programming System with a Proceedural Representation", Late Breaking Papers in Genetic Programming, Genetic and Evolutionary Computation Conference, GECCO 2001, July 7-11, 2001, San Francisco.
  Click this for color copies of the figures.

• Judith Devaney, John Hagedorn, Olivier Nicolas, Gagan Garg, Aurelien Samson, Martial Michel, "A Genetic Programming Ecosystem", accepted for presentation at the 15th Annual International Parallel & Distributed Processing Symposium, IPDPS 2001, Workshop on Biologically Inspired Solutions to Parallel Processing Problems, April 23, 2001, San Francisco.

• James S. Sims, John G. Hagedorn, Peter M. Ketcham, Steven G. Satterfield, Terence J. Griffin, William L. George, Howland A. Fowler, Barbara A. am Ende, Howard K. Hung, Robert B. Bohn, John E. Koontz, Nicos S. Martys, Charles E. Bouldin, James A. Warren, David L. Feder, Charles W. Clark, B. James Filla, Judith E. Devaney, "Accelerating Scientific Discovery Through Computation and Visualization", NIST Journal of Research, vol 105 (6), pp875-894, Nov.-Dec. 2000 .

• Peter M. Ketcham, David L. Feder, Charles W. Clark, Steven G. Satterfield, Terence J. Griffin, William L. George, Barry I. Schneider, William P. Reinhardt, "Volume Visualization of Bose-Einstein Condensates", 30 April 2001.

• William L. George and James A. Warren. "A parallel 3D dendritic growth simulator using the phase-field method", submitted to Journal of Computational Physics.

• Judith Devaney, John Hagedorn, Steve Satterfield, Barbara am Ende, Howard Hung, "Tool Integration, Development, and Visualization for High Throughput Experiment Environments", Workshop on Combinatorial Methods for Materials: Systems Integration in High Throughput Experimentation, Nov 15, 2000, Los Angeles California.

• Nicos Martys, James Sims, "Application of Dissipative Particle Dynamics For Modeling Cement Based Materials", Symposium on Materials Science of High Performance Concrete, Nov 28-30, 2000.

• Eric Landis, Shan Lu, Nicos Martys, John Hagedorn, "Experiments and Simulations of Concrete Microstructure Permeability", Symposium on Materials Science of High Performance Concrete, Nov 28-30, 2000.

• Judith Devaney, "The role of Choice in Discovery", Discovery Science 2000, The Third International Conference on Discovery Science, December 4-6, 2000.

• Nick Martys, Jim Sims, "Modeling the Rheological Properties of Concrete", in the Virtual Cement and Concrete Testing Laboratory Documentation System (http://burn.cfr.nist.gov/~gpfrn/concpubs/)

• Charles Clark, D.Feder, B.Schneider, Peter Ketcham, "Dynamics of Vortex Formation In Rotating Bose-Einstein Condensates", Workshop on Rotating Bose-Einstein Condensates, European Centre for Theoretical Studies in Nuclear Physics, Trento, Italy, June 11, 2000.

• John Hagedorn, Judith Devaney, "Parallel Genetic Programming", Workshop on Combinatorial Methods, National Institute of Standards and Technology, May 31-June 1, 2000

• Steven Buntin, Steven Robey, Stepahn Stranick, Peter Schenck, Debra Kaiser, Barbara Anne am Ende, Howard Hung, Judith Devaney, "Scanning Evanescent Probe Microscopy for High Throughput Materials Analysis, Workshop on Combinatorial Methods, National Institute of Standards and Technology, May 31-June 1, 2000.

• Peter Ketcham, "Volume Visualizations of Bose Einstein Condensates", Conference on Visualization Development Environments, 27-28 Apr 2000, Princeton, N.J.

• W.C. Liu, S.N. Houde-Walter (Univ. of Rochester Institute of Optics), D.L. Veasey, and A.P. Peskin, "Design & optimization of a diode-pumped, glass waveguide laser." submitted to Applied Optics.

• E.D. Marquardt, Ray Radebaugh, and A.P. Peskin, "Vapor Precooling in a Pulse Tube Liquefier," 11th International Cryocooler Conference, June 20-22, 2000, Keystone, CO. Will be published in 'Cryocoolers 11'

• E.W.Lemmon,D.G.Friend,A.H.Harvey,M.L.Huber,M.O.McLinden,A.P.Peskin, "Thermophysical Property Databases from NIST", presented at the 14th Symposium on Thermophysical Properties, June 25-30, 2000, Boulder, CO.

• William George,"Parallel Programming in MPI: From Local Clusters to Global Grids", Computational Sciences Seminar Series, George Mason University, April 13, 2000,(Invited talk).

• Hoda El-Sayed, Marc Salit, J.C.Travis, Judith Devaney, William George, "Parallel Maximum-Likelihood Inversion for Estimating Wavenumber-Ordered Spectra in Emission Spectroscopy", proceedings of the International Parallel and Distributed Processing Symposium 2000 (IPDPS 2000), May 1-5, 2000, Cancun, Mexico.

• Nicos Martys, John Hagedorn, and Judith Devaney, "Lattice Boltzmann Simulations of Single and Multi-Component Flow in Porous Media", Chapter in book entitled "Mesoscopic Modelling: Techniques and Applications", edited by Nicolaides and Bick, to be published by Marcel Dekker, Inc.

• Howland Fowler, Judith Devaney, John Hagedorn, "Growth Model for Filamentary Streamers in an Ambient Field", accepted by the IEEE Transactions on Dielectrics and Electrical Insulation.

• Jeffrey Squyres, Andrew Lumsdaine, William George, John Hagedorn, Judith Devaney, "The Interoperable Message Passing Interface (IMPI) Extensions to LAM/IMPI", presented at the Message Passing Interface and High Performanced Cluseter's Developer's and User's Conference, March 20-23, 2000, Ithaca, N.Y.

• William L. George, John G. Hagedorn, Judith E. Devaney, "IMPI: Making MPI Interoperable", Journal of Research of the National Institute of Standards and Technology", May-June 2000.

• IMPI Steering Committee, "IMPI: Interoperable Message-Passing Interface", Protocol Version 0.0, January, 2000.

• Martial Michel, Judith Devaney, "A Generalized Approach for Transferring Data-Types with Arbitrary Communication Libraries", Proceedings of the Workshop on Multimedia Network Systems (MMNS'2000) at the 7th International Conference on Parallel and Distributed Systems (ICPADS '2000), July 4-7, 2000, at Iwate, Japan.

• Peter Ketcham, David Feder, "An image of Vortices in a Rotating Bose Einstein Condensate", Cover of the December 1999 issue of Physics Today.

• N. Martys, J. Hagedorn, D. Goujon, J. Devaney, "Large Scale Simulations of Single and Multi-Component Flow in Porous Media, presented at The International Symposium on Optical Science, Engineering, and Instrumentation, SPIE July 18-23, 1999, Denver, Colorado, published in Proceedings of SPIE, Volume 3772.

• Ryan McCormack, John Koontz, Judith Devaney, "Secure Web-based Access to High Performance Computing Resources", National Institute of Standards and Technology, Information Technology Bulletin, January 1999 .-- Online version.

• Ryan McCormack, John Koontz, Judith Devaney, "An Authentication Framework for Web Access to Remote Hosts", NISTIR 6278, January 1999.

• T. Vorburger, E. Marx, M. McKnight, M. Galler, M. VanLandingham, M. Nadal, P. Barnes, A. Thompson, F. Hunt, P. Ketcham, "Measurements and Predictions of Light Scattering by Coatings", American Society for Testing and Materials, Committee E-12, Annual Meeting, Ft. Lauderdale, FL, Jan 26-28, 1999.

• David Feder, Barry Schneider, Bill Reinhardt, William George, Peter Ketcham, Terence Griffin, Charles Clark, "Generation of Solitons and Vortices in BECs by Trap Rotation and Optical Imprinting", presented at the Workshop on Bose-Einstein Condensation and Degenerate Fermi Gases, Feb 10-12, 1999.

• Peter Ketcham, David Feder, William Reinhardt, Charles Clark, William George, "Visualization of the Bose-Einstein Condensate", NISTIR 6355, March, 1999.

• Judith Devaney, "Parallel Computing and the Structure of Science", Computational Sciences Seminar Series, George Mason University, Feb 25, 1999, 4:30 (Invited talk).

• Martial Michel, Andre Schaff, Judith Devaney, "Managing data-types: the CORBA approach and AutoLink, an MPI solution", presented at the Message Passing Interface Developer's and User's Conference, March 10-12, 1999, Atlanta, GA.

• William George, John Hagedorn, Judith Devaney, "Status Report on the Development of the Interoperable MPI Specification", presented at the Message Passing Interface Developer's and User's Conference, March 10-12, 1999, Atlanta, GA.

• William George, "Dynamic Load Balancing for Data-Parallel MPI Programs", presented at the Message Passing Interface Developer's and User's Conference, March 10-12, 1999, Atlanta, GA.

• E. L. Shirley, L. X. Benedict, R. B. Bohn, "Theory of Optical Absorption with Electron-Hole Attraction", Proceedings of the Seventh International Symposium on Physics and Chemistry of Luminescent Materials, C. W. Struck, K.C. Mishra, B. Di Bartolo, Editors, Electrochemical Society Proceedings, p36-48, Volume 98-24, 1999.

• A.J. Slifka, B.J. Filla, and J.K.Stalick, "Thermal Conductivity of Two Compositions of Yttria Stabilized Zirconia", 25th International Thermal Conductivity Conference and 13th International Thermal Expansion Symposium, June 13-16, 1999, Ann Arbor, MI.

• Ryan McCormack, John Koontz, Judith Devaney, "Seamless Computing with WebSubmit", Journal of Concurrency, Practice, and Experience: Special issue on "Aspects of Seamless computing", Vol 11(12), 1-15 (1999).

• William George, John Hagedorn, Judith Devaney, "A Java-Based Tool for Testing the Interoperable MPI Protocol", accepted by The First International Conference and Exhibition on The Practical Application of Java, April 21 - April 23, 1999, London, UK. HTML, postscript

• P.M.Peters, D.S.Funk, A.P.Peskin, D.L. Veasey, N.A.Sanford, S.N.Houde-Walter, J.S.Hayden, "Ion-Exchanged waveguide lasers in Er3+/Yb3+ co-doped silicate glass," Applied Optics, 20 November 1999, Vol. 38, No. 33. p. 6879-6886.

• David L. Veasey, David S. Funk, Philip M. Peters, Norman A. Sanford, Gregory E. Obarski, Norman Fontaine, Matt Young, Adele P. Peskin, Wei-chih Liu, S.N.Houde-Walter, Joseph S. Hayden, "Yb/Er-codoped and Yb-doped Waveguide Lasers in Phosphate Glass," accepted for publication by the Journal of Non-Crystalline Solids.

• Rui Luo, Laurent David, Howard Hung, John Moult, Judith Devaney, Michael Gilson, "The Strength of Solvent-Exposed Salt Bridges", Journal of Physical Chemistry B, 1999, 103, 727-736.

• Judith Devaney, Lawrence Hunter, James Filliben, "Learning to Recognize Distributional Functions", submitted to IEEE Transactions on Knowledge and Data Engineering.

• Stephen Nash, Ariela Sofer, "Why Extrapolation Helps Barrier Methods", submitted to Siam Journal of Optimization.

• Martial Michel, Judith Devaney, "Fine Packet Size Tuning with AutoLink", Proceedings of the International Workshop on Parallel Computing (IWPP '99), September 21-24, Aizu, japan.

• M. Henkins, "Remote Computing Utility Eases Interface Problems", Signal, 65-67, July 1999.

• John Koontz, Judith Devaney, "WebSubmit", Symposium on Multidisciplinary Applications and Interoperability" (MAPINT), August 17-18, Fairborn, Ohio. (Invited talk).

• John Hagedorn, Nicos Martys, Delphine Goujon, Judith Devaney, "A Parallel Lattice Boltzmann Algorithm for Fluid Flow in Complex Geometries", Symposium on Computational Advances in Modeling Heterogeneous Materials, Fifth National Congress on Computational Mechanics, August 4-6, 1999.

• Howland Fowler, Judith Devaney, John Hagedorn, "Shaping of Filamentary Streamers by the Ambient Field", 1999 Conference on Electrical Insulation and Dielectric Phenomena, October 17-21, Austin Texas, 1999.

• Judith E. Devaney, Editor, "IMPI - Interoperable Message-Passing Interface", November, 1998, Draft Standard.

• William George, John Hagedorn, Peter Ketcham, Judith Devaney, "IMPI Conformance Testing", chapter in "IMPI - Interoperable Message-Passing Interface", November, 1998, Draft Standard.

• H.A. Fowler, J.E. Devaney, J.G. Hagedorn, and F.E. Sullivan (IDA), "Dielectric Breakdown in a Simplified Parallel Model", Computers in Physics, Volume 12, number 5, pp 478-487, 1998.

• "NIST Software Makes Remote Computing a Snap", NIST TechBeat, August 1998.

• Stephen Nash, Ariela Sofer, "On the Complexity of a Practical Interior-Point Method", Siam Journal of Optimization, No. 3, pp 833-849, August 1998.

• Steven Nash, "Nonlinear Programming", OR/MS Today, Volume 25, Number 3, June, 1998.

• Howland A. Fowler, Judith E. Devaney, John G. Hagedorn, "User Guide to CADMUS, a Simplified Parallel Code for Laplacian Fractal Growth", NISTIR 6180, June, 1998.

• Howland A. Fowler, Judith E. Devaney, John G. Hagedorn, Francis Sullivan, "Dielectric Breakdown in a Simplified Parallel Model", NISTIR 6174, June, 1998.

• Ryan McCormack, John Koontz, Judith Devaney, "WebSubmit: Web Based Applications with Tcl", NISTIR 6165, June, 1998.

• Andrew Roosen, Ryan McCormack, W. Craig Carter, ``Wulffman: A Tool for the Calculation and Display of Crystal Shapes'', Computational Materials Science, pp 16-26, Volume 11, Issue 1, March 1998.

• Lorin benedict, Eric Shirley, Robert Bohn, "Optical Absorption of Insulators and the Electron-Hole Interaction: An Ab Initio Calculation", Physical Review Letters; May 18, 1998, Volume 80, Issue 20, pp. 4514-4517.

• Lorin benedict, Eric Shirley, Robert Bohn, "Theory of Optical Absorption in Diamond, Si, Ge, and GaAs" appeared in the April 15,1998 issue of Physical Review B (Condensed Matter and Materials Physics). The reference is Volume 57, Number 16, page R9385.

• Delphine Goujon, Martial Michel, Jasper Peeters, Judith Devaney, "AutoMap and AutoLink: Tools for Communicating Complex and Dynamic Data-structures Using MPI", Lecture Notes in Computer Science, Volume 1362, pp 98-109, 1998, Springer-Verlag.

• Delphine Goujon, Martial Michel, Jasper Peeters, Judith Devaney, "AutoMap and AutoLink: Review of Tools for Communicating Complex and Dynamic Data-Structures Using MPI", Reseau ESIAL, p. 2, vol 4, January 1998.

• Robert B. Bohn, Judith E. Devaney, John Hougen, "Automated Spectral Analysis Using Machine-Based Learning Techniques".

• Ryan McCormack, John Koontz, Judith Devaney, "WebSubmit: Access to Remote computers via the Web", meeting on Desktop Access to Remote Systems, October 8-9, 1998, Argonne National Laboratory. (Invited Talk).

• Delphine Goujon, Martial Michel, Jasper Peeters, Judith Devaney, "AutoMap and AutoLink: Tools for Communicating Complex and Dynamic Data-structures Using MPI", Presented at the Workshop on Communication, Architecture, and Applications for Network based Parallel Computing (CANPC'98), held in conjunction with the Fourth International Symposium on High Performance Computer Architecture, Jan 31 - Feb 4, 1998, Las Vegas, Nevada.

• L. X. Benedict, E. L. Shirley, R. B. Bohn, "Iterative Computation of Optical Absorption Including the Electron-Hole Interaction", Tenth Annual Workshop on Recent Developments in Electronic Structure Algorithms, U. Penn., Philadelphia, PA, May 1998.

• E. L. Shirley, L. X. Benedict, R. B. Bohn, "Ab initio calculation of absorption spectra with excitonic effects", Spectroscopy of Electronic Excitations in Materials U. Valladolid, Valladolid, SPAIN, September 1998.

• -William George, gave a talk on "An overview of the paper: 'Parallel Implementations of the Split-Step Fourier Method for Solving Nonlinear Schrodinger Systems', by S.M. Zoldi, V. Ruban, A. Zenchuk, S. Burtsev", Dec 10, for Charles Clark's physics group at NIST.

• Delphine Goujon HIGH PERFORMANCE SYSTEMS AND SERVICES DIVISION SEMINAR: "Design of a Memory Intensive Scientific Application in a Distributed Environment. Test Case : 3D Fluid Flow in Porous Media Using Lattice Boltzmann Method", Jan 23, 1998

• Jim Sims was given an acknowledgement by Ulrich Jentschura in his paper, "Convergence Acceleration via Combined Nonlinear-Condensation Transformations", submitted to Computer Physics Communications, 1998.

• Jim Sims and Judith Devaney were given an acknowledgement by Ulrich Jentschura in the paper 'Numerical Evaluation of the Lamb Shift in Hydrogen' by U.Jentschura, P. J. Mohr, and G. Soff.

• John Hagedorn and Judith Devaney are listed as Active Participants, and NIST is listed as a Supporting Institution in: The Message Passing Interface Forum, "MPI2: A Message-Passing Interface Standard", The International Journal of Supercomputer Applications and High Performance Computing, Special issue on MPI, volume 12, numbers 1-2, 1998. The 'author' is The Message Passing Interface Forum, of which John Hagedorn, Judith Devaney, and NIST are considered members by their participation.

• J. Devaney, "Equation Discovery Through Global Self Referential Geometric Invariants and Machine Learning", Ph.D. dissertation, George Mason University, December 1997, available through University Microfilms, UMI Number 9810568.

• J. Koontz, R. McCormack, J. Devaney, R. Lipman, "WebSubmit: A Paradigm for Platform Independent Computing", Workshop on Seamless Computing, ECMWF, Reading, England, September 1997. (Invited talk)

• N. Martys, J. Hagedorn, ``Numerical Simulation of Fluid Transport in Complex Geometries'', 1997 International Conference on Computational Physics, American Physical Society (presented)

• R. Lipman, J. E. Devaney, "WebSubmit: Running Supercomputer Applications Via the WEB", poster exhibit at Supercomputing '96, November 17-22, 1996 in Pittsburgh, PA.

• K. H. J. Vrielink and E. C. Baland and J. E. Devaney, "AutoLink: An MPI Library for Sending and Receiving Dynamic Data Structures", International Conference on Parallel Computing, University of Minnesota Supercomputer Institute, october 3-4,1996. (poster presentation)

• Judith Devaney, "Parallel Universes, Perpendicular Thinking, Insight, and Everything", Naval Research Laboratory Workshop on Parallel Computing, 1996. (Invited talk).