Mathematical and Computational Sciences
Division
Information Technology
Laboratory
National Institute of Standards
and Technology
Technology
Administration
U. S. Department of
Commerce
January 2004
This report summarizes the technical work of the Mathematical and Computational Sciences Division of NIST’s Information Technology Laboratory. Part I provides a high-level overview of the Division’s activities, including highlights of technical accomplishments during the previous year. Part II provides additional details covering many of the research activities of the Division. Part III provides listings of publications, technical talks, and other professional activities in which Division staff members have participated.
| Part I: Overview | 1 |
| Introduction | 11 |
| Overview of Technical Areas | 12 |
| Applied Mathematics | 12 |
| High Performance Computing and Visualization | 12 |
| Mathematical Software | 13 |
| Digital Library of Mathematical Functions | 14 |
| Quantum Information | 14 |
| Highlights | 15 |
| Technical Accomplishments | 15 |
| Staff News | 16 |
| Awards | 18 |
| Technology Transfer | 19 |
| Professional Activities | 20 |
| Part II: Project Summaries | 21 |
| Applied Mathematics | 23 |
| Time-Domain Algorithms for Computational Electromagnetics | 23 |
| Solidification Modeling | 25 |
| Materials Data and Metrology for Machining Simulation | 27 |
| Mathematical Problems in Construction Metrology | 28 |
| Micromagnetic Modeling | 30 |
| A Direct Procedure for Classifying Image Smoothness | 31 |
| Singular Integral Image Deblurring Methods That Recover Texture | 35 |
| Modeling and Computational Techniques for Bioinformatics Based Data Mining | 38 |
| Linear Stability of Spiral Poiseuille Flow with a Radial Temperature Gradient | 39 |
| Monte Carlo Methods for Combinatorial Counting Problems | 40 |
| Measures of Approximation in Delay Differential Equations | 40 |
| Separating Signal from Noise in Measured Time Series | 41 |
| Systems Identification and Parameter Estimation | 44 |
| Numerical Algorithms for Advanced Mass Spectrometry | 47 |
| Mathematical Software | 49 |
| Parallel Adaptive Refinement and Multigrid Finite Element Methods | 49 |
| SciMark, a Web-based Benchmark for Numerical Computing in Java | 51 |
| Sparse BLAS Standardization | 51 |
| TNT: Object Oriented Numerical Programming | 52 |
| OOF: Finite Element Analysis of Material Microstructures | 53 |
| Computational Geometry Using Exact Arithmetic | 54 |
| Information Services for Computational Science | 54 |
| High Performance Computing and Visualization | 56 |
| Virtual Cement and Concrete Testing Laboratory | 56 |
| Visualization of Smart Gels | 60 |
| Computational Models of Microelectronic and Optoelectronic Devices | 61 |
| Multi-Modal Imaging and Visualization | 62 |
| Computation and Visualization of Nanostructures and Nano-optics | 64 |
| Visualization of Nanostructures for Material Reliability | 66 |
| Visualization of Macromolecules | 67 |
| Interoperable MPI | 67 |
| Screen Saver Science | 68 |
| Computation of Atomic Properties with the Hy-CI Method | 70 |
| Tools for Scientific Visualization | 71 |
| Special Projects | 75 |
| Digital Library of Mathematical Functions | 75 |
| Quantum Information | 78 |
| Part III: Activity Data | 83 |
| Publications | 85 |
| Appeared | 85 |
| Accepted | 87 |
| Submitted | 88 |
| In Process | 89 |
| Visualizations Published | 90 |
| Presentations | 90 |
| Invited Talks | 90 |
| Conference Presentations | 92 |
| Software Released | 93 |
| Conferences, Minisymposia, Lecture Series, Short-courses | 93 |
| MCSD Seminar Series | 93 |
| DLMF Seminar Series | 94 |
| Local Events Organized | 94 |
| External Event Organization | 94 |
| Other Professional Activities | 95 |
| Internal | 95 |
| External | 95 |
| External Contacts | 96 |
| Part IV: Appendices | 99 |
| Staff | 101 |
| Acronyms | 104 |