DEPARTMENT OF PHYSICAL CHEMISTRY
JK Software
Links to software by Jiøí Kolafa are collected here
Scientific software
- MACSIMUS is a MD package for molecular modeling of fluid mixtures to proteins.
- HSMD is highly efficient CPU-based program for MD simulation of hard spheres.
- NSK is a GUI-oriented tool for phase equilibria of binary mixtures and their global phase diagrams.
See also educational software
- SIMOLANT shows molecular simulations of several 2D atomistic models including freezing, crystal defects, capillary action, thermostats, flock of birds and more.
- E-generalized diagram is a javascript applet to calculate equation of state using the the Redlich-Kwong equation of state.