A quadratic string adapted barrier exploring method for locating transition states

초록

A novel quadratic string adapted barrier exploring method is used for locating relevant transition states that contain crucial information on rare events of transition from the energy barriers, The energy barriers include ionic diffusion in a crystalline material with vacancies and adatom migration at surfaces, or transient stability in power system dynamics. This procedure is repeated until a relevant transition state is located, and this method successfully locates the transition states for the benchmark energy surface problems.