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Mar 16 2011
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molecular dynamics of hard spheres in a periodic box

DEPARTMENT OF PHYSICAL CHEMISTRY
Theory group

Statistical Thermodynamics

Anatol Malijevský     PhD. students: Linda Viererblova
Stanislav Labik   Karel Matas
Jiri Kolafa  

Theoretical investigation of thermodynamic behavior of liquids and gases based on intermolecular interactions. Determination of internal structure of fluids by integral equation theories and Monte Carlo and molecular dynamics simulations. Molecular modeling and simulation, esp. of ionic liquids.