Thermodynamics, Statistical Mechanics, Molecular Simulations

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Research Interests

All research activities center around the principal possibility to predict the thermophysical behavior
of matter from its smallest constituents: molecules and their interactions. Within this framework a variety
of projects are established or underway.

• Thermodynamic Perturbation Theory of Molecular Fluids
• Molecular Dynamics Simulation of Molecular Systems
• Monte Carlo Simulation of Molecular Systems
• Ab-Initio Molecular Dynamics Simulation
• Fundamental Statistical Mechanics
• Cell Theory of Atomic Solids
• Thermodynamics of Small Systems
• Properties of Microclusters
• Diffusion in Molecular Fluids
• Computer-Generated Equations of State