Mathematical and Computational Sciences Division

Summary of Activities for Fiscal Year 2005


Visualizations of a quantum dot of gallium arsenide developed by Howard Hung of MCSD.


Mathematical and Computational Sciences Division
Information Technology Laboratory
National Institute of Standards and Technology
Technology Administration
U. S. Department of Commerce

January 2006


Abstract

This report summarizes the technical work of the Mathematical and Computational Sciences Division (MCSD) 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 includes short articles describing selected recent technical accomplishments in more detail. Part III provides brief summaries of many of the research projects of the Division. Part IV provides listings of publications, technical talks, and other professional activities in which Division staff members have participated.


Download complete report (5.2 Mbytes), or individual sections below.


Table of Contents

Front Matter 1
Part I : Overview9
Introduction11
Highlights14
Technical Accomplishments14
Staff News16
Awards17
Part II - Features 21
Architectures for Fault-tolerant Quantum Computing 23
Quantum Logic Circuit Synthesis 25
Adaptive Finite Element Modeling of Two Confined and Interacting Atoms 27
Mathematical Modeling of Nanomagnetism 29
Stability of Nanowires 31
Improving Image Resolution in Nanotechnology 33
Creating Visual Models of Nanoworlds 35
Measurement Science in the Virtual World 37
Identifying Objects in LADAR Scanning Data 39
Part III - Project Summaries41
Mathematical Knowledge Management 43
Digital Library of Mathematical Functions 43
Representation and Exchange of Mathematical Data 44
Fundamental Mathematical Software Development and Testing 46
Sparse BLAS Standardization 46
SciMark, a Web-based Benchmark for Numerical Computing in Java 46
TNT: Object Oriented Numerical Programming 47
A Metrology-Based Approach to Verification and Validation of Computer Models of High-Consequence Engineering Systems 47
Mathematical Software Reference Databases 48
High Performance Computing 49
Computation of Atomic Properties with the Hy-CI Method 49
Computation of Nano-structures and Nano-optics 50
Computational Modeling of the Flow of Concrete 51
Interoperable MPI 51
Screen Saver Science 52
Virtual Measurement Laboratory 53
Creating Visual Models of Nanoworlds 53
Measurement Science in the Virtual World 53
Tissue Engineering 53
3D Chemical Imaging at the Nanoscale 55
Virtual Cement and Concrete Testing Laboratory 56
Visualization of Resonant Optical Scattering by Metamagnetic Materials 58
Visualization of Nano-structures and Nano-optics 59
Mathematical Modeling of Mechanical Systems and Processes 61
Stability of Nanowires 61
OOF: Finite Element Analysis of Material Microstructures 61
Materials Data and Metrology for Applications to Machining Processes, Frangible Ammunition, and Body Armor 62
Modeling and Simulation of High-Speed Machining Operations 63
Phase-Field Modeling of Solidification under Stress 64
Modeling Fluid Flow and Materials Processing 65
Modeling Nonequilibrium Boundary Condition at a Liquid-Liquid Interface 65
A Stochastic Approach to Modeling of Contact Dynamics of Silicon Cantilevers 66
Complex System Failure Analysis: A Computational Science Based Approach 66
Modeling the Behavior of Cryocoolers 67
Mathematical Modeling of Electromagnetic Systems 68
Mathematical Modeling of Nanomagnetism 68
High-Speed Waveform Metrology 68
Micromagnetic Modeling 69
Time-Domain Algorithms for Computational Electromagnetics 70
Quantum Dot Identification and Characterization 71
Terahertz Band Device Modeling 71
Physics Models for Transport in Compound Semiconductors 72
Quantum Information 73
Architectures for Fault-Tolerant Quantum Computing 73
Quantum Circuit Synthesis 73
Adaptive Finite Element Modeling of Two Confined and Interacting Atoms 73
Realizing Quantum Information Processors 73
Optical Quantum Metrology and Quantum Computing 74
Mathematics of Metrology 75
Improving Image Resolution in Nanotechnology 75
Identifying Objects in LADAR Scanning Data 75
Phase Modulation Measurements of Fluorescent Lifetimes 75
APEX Blind Deconvolution of Color Imagery 76
Simulation of Bioregulatory Networks Involved in Cell Cycle Control 77
Computing Surface and Volume Estimates of 3-D Objects 78
Systems Identification and Parameter Estimation 78
Technology Transfer of Monte Carlo Strategies 79
Voting Systems 79
Part IV - Activity Data 81
Publications 83
Presentations 88
Software Released 90
Conferences, Minisymposia, Lecture Series, Short-courses 91
Other Professional Activities 92
External Contacts 94
Part V - Appendices 97
Staff 99
Acronyms 101



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This page was created on 6 February 2006. Direct questions or comments to boisvert@nist.gov.