Pedersen, Andreas; Jónsson, Hannes - In: Mathematics and Computers in Simulation (MATCOM) 80 (2010) 7, pp. 1487-1498
The program EON2 is a distributed implementation of the adaptive kinetic Monte Carlo method for long time scale simulations of atomistic systems. The method is based on the transition state theory approach within the harmonic approximation and the key step is the identification of relevant...