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Research in the group is devoted to theoretical quantum mechanical studies of materials. The first principles methodology used is based on Density Functional Theory and pseudopotentials. First principles molecular dynamics and lattice dynamics are powerful complementary methods we use to address thermodynamic properties of matter at the extreme conditions encountered in planetary interiors.  

• Simulations of materials properties at high pressures and temperatures

• Earth and planetary materials

• Lattice dynamics and thermodynamics properties of materials

• Electronic properties of strongly correlated impurities in insulators

• Spintronic materials

 

 

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Revised: December 29, 2004
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