ReaxFF Features geometry optimization, non-reactive or reactive molecular dynamics various ReaxFF force fields MCFF Optimizer: force field parameterization tool model reactions of millions of atoms in a 3D box well parallelized and linear-scaling for large systems Grand-Canonical Monte Carlo: reactivity under thermodynamic equilibrium conditions force-bias Monte Carlo: accelerated reactive MD ACKS2 charge equilibration: correct long-range charge behavior (batteries, enzymes) eReaxFF: explicit electrons