Skip to main content

PNNL

  • About
  • News & Media
  • Careers
  • Events
  • Research
    • Scientific Discovery
      • Biology
        • Ecosystem Science
        • Human Health
          • Cancer Biology
          • Exposure Science & Pathogen Biology
          • Metabolic Inflammatory Diseases
        • Integrative Omics
          • Advanced Metabolomics
          • Chemical Biology
          • Mass Spectrometry-Based Measurement Technologies
          • Spatial and Single-Cell Proteomics
          • Structural Biology
        • Microbiome Science
          • Biofuels & Bioproducts
          • Human Microbiome
          • Soil Microbiome
          • Synthetic Biology
        • Computational Biology
      • Chemistry
        • Computational Chemistry
        • Chemical Separations
        • Chemical Physics
        • Catalysis
      • Earth & Coastal Sciences
        • Atmospheric Science
          • Atmospheric Aerosols
          • Human-Earth System Interactions
          • Modeling Earth Systems
        • Coastal Science
        • Ecosystem Science
        • Plant Science
        • Subsurface Science
        • Terrestrial Aquatics
      • Materials Sciences
        • Materials in Extreme Environments
        • Precision Materials by Design
        • Science of Interfaces
        • Solid Phase Processing
          • Cold Spray
          • Friction Stir Welding & Processing
          • ShAPE
      • Nuclear & Particle Physics
        • Dark Matter
        • Flavor Physics
        • Fusion Energy Science
        • Neutrino Physics
      • Quantum Information Sciences
    • Sustainable Energy
      • Energy Storage
        • Electrochemical Energy Storage
        • Flexible Loads and Generation
        • Grid Integration, Controls, and Architecture
        • Regulation, Policy, and Valuation
        • Science Supporting Energy Storage
        • Chemical Energy Storage
      • Environmental Management
        • Waste Processing
        • Radiation Measurement
        • Environmental Remediation
      • Fossil Energy
        • Subsurface Energy Systems
        • Carbon Management
          • Carbon Capture
          • Carbon Storage
          • Carbon Utilization
        • Advanced Hydrocarbon Conversion
      • Nuclear Energy
        • Fuel Cycle Research
        • Advanced Reactors
        • Reactor Operations
        • Reactor Licensing
      • Renewable Energy
        • Solar Energy
        • Wind Energy
          • Distributed Wind
          • Offshore Wind
          • Uncertainty Quantification
          • Wildlife and Wind
          • Wind Data Archive and Portal
          • Wind Resource Characterization
        • Energy Equity & Health
        • Marine Energy
          • Environmental Monitoring for Marine Energy
          • Marine Biofouling and Corrosion
          • Marine Energy Resource Characterization
          • Testing for Marine Energy
          • The Blue Economy
        • Hydropower
          • Environmental Performance of Hydropower
          • Hydropower Cybersecurity and Digitalization
          • Hydropower and the Electric Grid
          • Materials Science for Hydropower
          • Pumped Storage Hydropower
          • Water + Hydropower Planning
        • Grid Integration of Renewable Energy
        • Geothermal Energy
      • Transportation
        • Bioenergy Technologies
          • Algal Biofuels
          • Aviation Biofuels
          • Waste-to-Energy and Products
        • Hydrogen & Fuel Cells
        • Vehicle Technologies
          • Emission Control
          • Energy-Efficient Mobility Systems
          • Lightweight Materials
          • Vehicle Electrification
          • Vehicle Grid Integration
      • Energy Efficiency
        • Appliance and Equipment Standards
        • Building Energy Codes
        • Building Technologies
          • Advanced Building Controls
          • Advanced Lighting
          • Building-Grid Integration
        • Building and Grid Modeling
        • Commercial Buildings
        • Federal Buildings
          • Federal Performance Optimization
          • Resilience and Security
        • Grid Resilience and Decarbonization
        • Residential Buildings
          • Building America Solution Center
          • Energy Efficient Technology Integration
          • Home Energy Score
        • Energy Efficient Technology Integration
      • Electric Grid Modernization
        • Emergency Response
        • Grid Analytics
          • AGM Program
          • Tools and Capabilities
        • Grid Architecture
        • Grid Cybersecurity
        • Grid Energy Storage
        • Grid Resilience and Decarbonization
          • Earth System Modeling
          • Energy System Modeling
        • Transmission
        • Distribution
    • National Security
      • Chemical & Biothreat Signatures
        • Contraband Detection
        • Explosives Detection
        • Pathogen Science & Detection
          • Threat-Agnostic Biodefense
      • Cybersecurity
        • Discovery and Insight
        • Proactive Defense
        • Trusted Systems
      • Nuclear Material Science
      • Nuclear Nonproliferation
        • Global Nuclear & Radiological Security
        • Nuclear Explosion Monitoring
        • Nuclear Forensics
        • Radiological & Nuclear Detection
        • Ultra-Sensitive Nuclear Measurements
      • Stakeholder Engagement
        • Disaster Recovery
        • Global Collaborations
        • Legislative and Regulatory Analysis
        • Technical Training
      • Systems Integration & Deployment
        • Additive Manufacturing
        • Deployed Technologies
        • Rapid Prototyping
        • Systems Engineering
      • Threat Analysis
        • Advanced Wireless Security
          • 5G Security
          • RF Signal Detection & Exploitation
        • Climate Security
        • Grid Resilience and Decarbonization
        • Internet of Things
        • Maritime Security
    • Data Science & Computing
      • Artificial Intelligence
      • Graph and Data Analytics
      • Software Engineering
      • Computational Mathematics & Statistics
      • High-Performance Computing
      • Visual Analytics
    • Lab Objectives
    • Publications & Reports
    • Featured Research
  • People
    • Inventors
    • Diversity & Inclusion
    • Lab Leadership
    • Lab Fellows
    • Staff Accomplishments
  • Partner with PNNL
    • Academia
      • Distinguished Graduate Research Programs
      • Internships
      • Visiting Faculty Program
      • Joint Appointments
      • Joint Institutes
      • Linus Pauling Distinguished Postdoctoral Fellowship
      • Minority-serving Institutions
    • Community
      • Regional Impact
      • STEM Education
        • Resources
        • Student STEM Ambassadors
        • STEM Ambassadors in the Classroom
      • Philanthropy
      • Volunteering
    • Industry
      • Available Technologies
      • Industry
      • Industry Partnerships
      • Licensing & Technology Transfer
      • Entrepreneurial Leave
  • Facilities & Centers
    • All Facilities
      • Atmospheric Radiation Measurement User Facility
      • Electricity Infrastructure Operations Center
      • Energy Sciences Center
      • Environmental Molecular Sciences Laboratory
      • Grid Storage Launchpad
      • Institute for Integrated Catalysis
      • Interdiction Technology and Integration Laboratory
      • PNNL Seattle Research Center
      • PNNL-Sequim
      • Radiochemical Processing Laboratory
      • Shallow Underground Laboratory

Chemical Dynamics Initiative

  • Research
    • Data and Integration Activities
    • Nuclear Incident Characterization
    • Addictive Manufacturing
    • Functional Materials
  • Capabilities
  • People
  • Publications
  • News & Highlights

CDI Research

CDI’s cross-disciplinary team of PNNL researchers is developing the science to address inverse problems in chemical systems. This challenge, while on its own difficult, is made more so by the sparse data environments that often accompany the measurement of chemical signatures in many national security mission areas.

The CDI team is investigating how new tools and techniques in measurement, uncertainty quantification, data science, and chemical theory can lead to a better understanding of the fate of real-world chemical signatures. One of the primary questions is, “What is the data density required to leverage new tools such as artificial intelligence and machine language?”

The CDI team will answer this question and others by developing an infrastructure and mechanisms to embed fundamental chemical and physical principles into cutting-edge data science tools. This requires the application of first-principles theory to develop synthetic and simulated data to fill in gaps within sparse data sets, as well as cutting-edge measurement science to generate high information content data.

CDI research activities fall under three use cases, as well as providing integration through the Data and Integration Activities:

Nuclear Incident Characterization: Small molecule indicators of nuclear accidents that are subject to changes in speciation, volatility, and fractionation when released into the environment.

Additive Manufacturing: Complex chemical filaments that go through a highly engineered manufacturing process to form new structures and devices using additive manufacturing.

Functional Materials: Materials and devices that have been constructed with atomic precision from chemical precursors to operate as sensors in extreme environments.

Data and Integration Activities: Develop a common framework across projects to study chemical signature dynamics; improve the integration of models and measurements within a coherent mathematical framework.

Research topics

Chemistry
Materials Sciences
Science of Interfaces
Radiation Measurement

PNNL

  • Get in Touch
    • Contact
    • Careers
    • Doing Business
    • Environmental Reports
    • Security & Privacy
    • Vulnerability Disclosure Program
  • Research
    • Scientific Discovery
    • Sustainable Energy
    • National Security
Subscribe to PNNL News
Department of Energy Logo Battelle Logo
Pacific Northwest National Laboratory (PNNL) is managed and operated by Battelle for the Department of Energy
  • YouTube
  • Facebook
  • Twitter
  • Instagram
  • LinkedIn