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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
Updated: 17.6.2016 13:17, Author: Daniel Ondo

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Copyright: UCT Prague 2015
Information provided by the Department of International Relations and the Department of R&D. Technical support by the Computing Centre.
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