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Center for Scientific Computation and Mathematical Modeling

Research Activities > Programs > Nonequilibrium Interface Dynamics > Tutorials


Nonequilibrium Interface Dynamics:
Theory and Simulation from Atomistic to Continuum Scales


CSIC Building (#406), Seminar Room 4122.
Directions: home.cscamm.umd.edu/directions


Structure and Function from First Principles

Dr. Karin Rabe

Department of Physics and Astronomy at Rutgers, The State University of New Jersey


Abstract:   The use of first-principles density-functional-theory methods to analyze and predict the structure and properties of functional materials will be presented in a pedagogical way. Examples will be drawn mainly from functional oxides, including high-k dielectrics, piezoelectrics, and ferroelectrics, in bulk, thin films and multilayers.