SIMOLANT 09/2025
Molecular simulation in 2D

Aims

• 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
  • Flock of birds
• 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 and linear density profiles
  • Walls / periodic boundary conditions
  • Flying icecube artifact
  • Expert: export of quantities and statistics, keyboard input
  • More force fields: quasicrystal, penetrable disks

Downloads

• Windows executable (64 bit): simolant-win.zip. Contains simolant.exe, simolant.html and libraries.
  Installation: unpack it to a directory and run simolant.exe
• Old Windows executable (32 bit): simolant-win32.zip. Contains simolant.exe and simolant.html.
  Installation: unpack it to a directory and run simolant.exe
• MacOS: open and read simolant_macos/readme.txt (credit: Kateřina Večerková)
• Linux executable (AMD/Intel, 64 bit, dynamic linking): simolant-linux.zip
  Installation: unpack it to a directory and run simolant. You may have to install missing libraries
• Source code on GitHub
• User guide
• Computational chemistry exercises: Clausius–Clapeyron equation / Kelvin equation
• Leaflet
• Older version for MacOS: open and follow README.txt (credit: Alexandr “Sasha” Zaykov)

Copyright

SIMOLANT has been developed by Jiri Kolafa. It is a free software licensed by the GNU General Public License 3

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 are covered by the respective GPLv3-compatible licences:
zlib1.dll, libwinpthread-1.dll, libpng16-16.dll, libjpeg-8.dll, libgcc_s_seh-1.dll