Molecular simulation in 2D. See directory executables/ for the installation.
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In teaching physics and chemistry at elementary and high schools: A number of phenomena are shown using a two-dimensional molecular model of matter:
- Condensation of gas and crystallization of liquid on cooling
- Melting and evaporation on heating
- Mixing of fluids and gases
- Capillary action
- Crystal defects in motion
- Gas in a gravitational field
- Impact of a solid body (crystal) to a wall
- Vicsek model of a flock of birds
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In a university course of molecular simulations: Basic concepts of statistical thermodynamics and molecular simulations can be elucidated:
- Ergodic and deterministic dynamic systems
- Nucleation, Ostwald ripening
- Molecular dynamics at constant energy / temperature / pressure
- Monte Carlo at constant energy / temperature / pressure
- Convergence profiles of quantities
- Radial distribution function
- Radial density profile, z-density profile
- Walls and periodic boundary conditions
- Flying icecube artifact
- Expert: export of quantities and statistics, keyboard input
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Student work
- Isotherms, phase diagram
- Verification of the Clausius-Clapeyron equation
- Pressure outside a droplet/inside cavity (Kelvin equation)
- Surface / interfacial tension, contact angle
- Second virial coefficient and the equation of state
- Mean square displacement
- Diffusivity, Arrhenius plot, activation energy
- Soft penetrable disks
- Coalescence of droplets
- Double-minimum potential which might give the Penrose quasicrystal
- Phase transition in the Vicsek model
- https://old.vscht.cz/fch/software/simolant/index-en.html
- https://old.vscht.cz/fch/software/simolant/index-cz.html (in Czech)
Copyright (C) 2026 Jiří Kolafa
This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License version 3 (GPLv3), as published by the Free Software Foundation.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
This software was developed using the GNU suite of tools and the FLTK cross-platform GUI tools.
The following libraries included in the package for Windows (64 bit) are
covered by the respective GPLv3-compatible licences:
zlib1.dll, libwinpthread-1.dll, libpng16-16.dll, libjpeg-8.dll, libgcc_s_seh-1.dll.
- Ivo Nezbeda (the first version of SIMOLANT was written in Pascal for a simulation seminar which was held at the Institute of Chemical Technology in about 1985).
- Karel Matas (FLTK advise).
- Numerous students using this software at the University of Chemistry and Technology, Prague and the Technical University Liberec.