DEPARTMENT OF PHYSICAL CHEMISTRY
Software
Software developed in our department includes both educational and
scientific applications. It covers computer simulations, databases,
and phase equilibria.
Science
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The database of thermodynamic properties CDATA will help you with
physical chemistry calculations.
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MACSIMUS is a general
package for molecular dynamics simulations and molecular modeling of
systems ranging from mixtures of fluids to proteins.
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HSMD is a highly optimized
code for molecular dynamics of hard spheres.
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NSK is a graphically-oriented
tool for phase equilibria calculations of binary fluid mixtures
including global phase diagrams.
Education
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SIMOLANT is a demo software for molecular simulations.
It shows condensation and crystallization, capillary action, crystal defects, nucleation
- E-generalized diagram (web application for the Redlich-Kwong EOS in reduced units)