Unbiased Global Optimization of Lennard-Jones Clusters for N ≤ 201 Using the Conformational Space Annealing Method

초록

Unbiased global optimization of Lennard-Jones clusters for N ≤ 201 using the conformational space annealing method was presented. Robustness of the algorithm with respect to the randomness of initial conditions of the problem was demonstrated by ten independent runs up to 183 atoms. Results indicated that the method was an efficient global optimization algorithm which was applicable to many systems.