ReaxFF acceleration

There are several techniques to accelerate reactive MD. Usually the reactivity is increased by increasing the temperature, but this will affect the dynamics itself. Other techniques currently available to accelerate your reactions in the Amsterdam Modeling Suite are:

• force bias Monte Carlo (manual, tutorial, python script for counting defects)
• Collective Variable-driven Hyperdynamics (CVHD): manual, tutorial)
• bond boost (manual, tutorial)
• Grand Canonical Monte Carlo (manual, tutorial)

See also a recent 2-day workshop dealing with ReaxFF parametrization and acceleration (slides).