Center Head - Dr. Dimitrios A. Papaconstantopoulos

Mission Statement:

• The Center conducts theoretical and computational research on the electronic and physical properties of diverse condensed matter systems including metals, semiconductors and insulators in ordered and disordered states and in alloy configurations. Modern mathematical and numerical techniques are used to study both static and dynamic properties of condensed phase and cluster systems, and of radiation interactions with atoms and matter.
• Major research efforts include studies of: electronic, phononic, magnetic, optical and mechanical characteristics of matter; transport properties, phase transformations, defect behavior and superconductivity in materials; radiation interactions with atoms and solids; via first principles electronic structure codes, via numerical statistical mechanical methods, via quantum many-body theory and via density-matrix approaches.
• Supercomputers (both vector and parallel) and modern visualization techniques are utilized to generate direct comparisons with experimental conditions, and in some cases to preempt experiment.
• The research has strong couplings with Navy experimental research programs and, in many cases, has the capability for predicting new materials and/or devices with enhanced desirable properties.

Center Description:

Dimitrios A. Papaconstantopoulos, Center Head, Code 6390
Larry L. Boyer, Associate Center Head, Code 6390A
Verne L. Jacobs, Center Consultant, Code 6390B

Activities in the Center

• Recent research highlights from the Center
  
• Software for materials physics
  
• The Database of Electronic Structure Calculations
  
• Concise Index of Crystal Lattice Structures
  
• Tight-binding parameters
  
• Recent publications in AIP journals  2000  1999  1998  1997