TY - JOUR
T1 - The Activation‐Relaxation Technique: ART Nouveau and Kinetic ART
AU - El-Mellouhi, Fadwa
AU - Normand, Mousseau
AU - Béland, Laurent Karim
AU - Brommer, Peter
AU - Joly, Jean François
AU - Machado-Charry, Eduardo
AU - Marinica, Mihai-Cosmin
AU - Pochet, Pascal
PY - 2012/4/19
Y1 - 2012/4/19
N2 - The evolution of many systems is dominated by rare activated events that occur on timescale ranging from nanoseconds to the hour or more. For such systems, simulations must leave aside the full thermal description to focus specifically on mechanisms that generate a configurational change. We present here the activation relaxation technique (ART), an open-ended saddle point search algorithm, and a series of recent improvements to ART nouveau and kinetic ART, an ART-based on-the-fly off-lattice self-learning kinetic Monte Carlo method.
AB - The evolution of many systems is dominated by rare activated events that occur on timescale ranging from nanoseconds to the hour or more. For such systems, simulations must leave aside the full thermal description to focus specifically on mechanisms that generate a configurational change. We present here the activation relaxation technique (ART), an open-ended saddle point search algorithm, and a series of recent improvements to ART nouveau and kinetic ART, an ART-based on-the-fly off-lattice self-learning kinetic Monte Carlo method.
M3 - Review article
SN - 2314-8020
JO - Journal of Atomic and Molecular Physics
JF - Journal of Atomic and Molecular Physics
ER -