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National Institute of Standards and TechnologyNational Institute of Standards and Technology
NIST Assets Include: 3,000 employees 1,600 guest researchers $760 million annual budget
NIST Laboratories -- National measurement standards - $400 million budget
Advanced Technology Program -- $570 million current R&D partnerships with industry
Manufacturing Extension Partnership -- 400 centers nationwide to help small manufacturers
Baldrige National Quality Award
NIST … NIST … is an agency in the Technology Administration of the US Department of Commerce.
2NIST LaboratoriesNIST Laboratories
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CSTL/NIST GoalsCSTL/NIST Goals
Measurement Standards Establish CSTL as the pinnacle of the national traceability and international comparability structure for measurements in chemistry, chemical engineering and biotechnology, and provide the fundamental basis of the nation’s measurement system
Chemical and Process InformationAssure that U.S. industry has access to accurate and reliable data and predictive models to determine the chemical and physical properties of materials and processes
Measurement ScienceAnticipate and address next generation measurement needs of the nation, by performing cutting-edge research
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• Explosive growth in the need for reliable physical, chemical, biochemical, and materials property data to support process and product optimization and discovery.
• combinatorial methods • high throughput experimentation• doubling of the volume of published thermodynamic data in the
last 10 yrs
0
0.4
0.8
1.2
1.6
7/1996
Growth in monthly use Chemistry WebBook
Mill
ion
s o
f P
ages
1/2003
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Information & Knowledge ManagementInformation & Knowledge Management
Knowledge
Knowledge Development
Information
Information Synthesis
Data Collection
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““...critically evaluated data on well-characterized ...critically evaluated data on well-characterized substances...”substances...”
• Reliable Data• suitably documented• established uncertainty
– first step in the creation of information– core of NIST mission
Standard Reference Data Act
Reliable Data Information
7• Trustworthy information “on-demand”:
– data collection• autonomous input at publication• federation of data archives world-wide
– data management• metadata, uncertainty, provenance
– data mining– data evaluation – best value, “self-improving” archives
• expert systems• comprehensive archives• non-linear, multi-variate, constrained, statistical optimization• self-consistent, reflexive annotation of uncertainty
– “virtual measurements”• first principles computations
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PrIMe – Process Informatics in a PrIMe – Process Informatics in a Community Collaboration for the Community Collaboration for the
Development of Combustion ModelsDevelopment of Combustion Models
• Needs– reliable hardware – modern data-management tools– sustained experimental data collection and
evaluation– scientific tools for mechanism generation, model
reduction, dataset analysis, …
9ChallengesChallenges
• 100’s gigabytes - federated world-wide– semantics & syntax – legacy
• mirror archives or only query federation?– real-time access to comprehensive archive
• non-standard, legacy database schema• non-standard or non-existent provenance• quality measures and annotation• metadata update upon evaluation
– enable dynamic self-consistency
• computation in a distributed environment• architectures for “on-demand” first principles
computational estimation