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Theoretical

Driving innovation and new insights in multidisciplinary domains

We conduct theoretical research and computational modeling to advance our scientific understanding and prediction of complex natural and engineered systems.

We collaborate closely with other divisions and external institutions to integrate theoretical findings with experimental and observational data.

We are a diverse team of scientists who value collaboration, mentoring and service. Our work supports a wide range of applications to advance science, energy and security.

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Capabilities

  • Modeling and Simulation
    • Ab-initio Calculation
    • Molecular Dynamics
    • Systems of Partial Differential Equations
  • Artificial Intelligence
    • Machine Learning
    • Large Foundational Model
    • Generative AI
    • Reasoning Models
  • Quantum Information Science
    • Computing
    • Sensing
    • Matter
  • Theoretical Physics
    • Nuclear and Particle Physics
    • Astrophysics
    • Plasma and Space Physics
  • Materials Discovery
    • Advanced manufacturing
    • Materials science
    • Functional Materials
  • Secure and Reliable Energy
    • Nuclear Fission and Fusion
    • Electrical Grid
    • Earth and Biological Systems

  • Applied Mathematics and Plasma Physics

    Maintaining mathematics, theory, modeling, and simulation capabilities in a broad set of areas

  • Fluid Dynamics and Solid Mechanics

    Basic and applied research and model development in the fields of continuum dynamics, hydrodynamics, materials, and earth systems, with the aid of theory, numerical algorithms and large-scale multi-physics simulations.

  • Nuclear and Particle Physics, Astrophysics, and Cosmology

    Providing scientific and technical leadership in fundamental and applied theoretical research on nuclear, particle, astrophysics, and cosmology theory and simulations

  • Physics and Chemistry of Materials

    Developing new science and technologies needed for national security by understanding how basic forces operating at the atomic level manifest themselves in the properties of matter at the macroscopic level.

  • Physics of Condensed Matter and Complex Systems

    A tradition of international leadership in correlated electrons, nonequilibrium statistical mechanics and the foundations of quantum mechanics

  • Theoretical Biology and Biophysics

    Basic and applied science supporting the National need.

  • Center for Non-Linear Studies

    The Center for Nonlinear Studies (CNLS) conducts and supports basic scientific research in nonlinear and complex systems phenomena.