Software developed in our department includes both educational and scientific applications. It covers computer simulations, databases, and phase equilibria.
- The database of thermodynamic properties CDATA will help you with physical chemistry calculations.
- MACSIMUS is a general package for molecular dynamics simulations and molecular modeling of systems ranging from mixtures of fluids to proteins.
- HSMD is a highly optimized code for molecular dynamics of hard spheres.
- NSK is a graphically-oriented tool for phase equilibria calculations of binary fluid mixtures including global phase diagrams.
- SIMOLANT is a demo to our course on Molecular modeling and simulation. It shows molecules in gas, liquid, and solid states.
- E-generalized diagram (web application for the Redlich-Kwong EOS in reduced units).
- Computing clusters: Local Guide