Monte Carlo

Monte Carlo simulations in AMS

Processes in thermodynamic equilibrium like battery discharge or adsorption isotherms can be studied  with the Grand-Canonical Monte Carlo (GCMC) algorithm in AMS. The force-bias Monte Carlo algorithm has been used to atomic layer deposition, surface diffusion, growth and healing processes. Thanks to the AMS driver concept, MD settings can easily be ported between compute engines, both internal and external, e.g. via the interface to the atomic simulation environment (ASE) engine.

Montecarlo gui

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