Theoretical, T

Physics and Chemistry of Materials, T-1

The Physics and Chemistry of Materials (T-1) Group provides scientific and technical leadership in fundamental and applied theoretical research on the physics and chemistry of materials.  The members of the group seek to understand how basic forces operating at the atomic level manifest themselves in the properties of matter at the microscopic level.  The group maintains theory, modeling and simulation capabilities in a broad set of materials-related areas.  Current activities in the group include research in atoms, molecules, solids, liquids, gases, and plasmas.  Group projects include the development and application of theory and techniques for calculating the electronic properties of molecules, solids, and liquids, atomistic simulations of materials, the dynamics and kinetics of chemical reactions; equation of state and thermodynamics; mechanical properties’ reactive burn and flow, atomic structure and collision theory, catalysis, opacities and the physics of hot and warm dense matter.  Particular applications of this research include the properties of simple metals, transition metals, and actinide elements, molecules, alloys and compounds’ radioactive properties of hot dense matter; the properties of polymers, organics and energetic materials, and theory and technologies for energy security.


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