TY - JOUR
T1 - An algorithm based on Wang-Landau sampling for finding the global minimum of atomic clusters
AU - Ruiz, Juan Carlos
AU - Rincón, Luis
PY - 2009
Y1 - 2009
N2 - In this work we present an algorithm for finding the global minimum of the energy in atomic clusters. The proposed algorithm combines the Monte-Carlo Wang-Landau random walk, local minimizations and heuristic moves of the energetic surface atoms. We test the algorithm with the optimizations of Lennard-Jones clusters. The algorithm is able to obtain each one of the global energy minima that are reported for Lennard-Jones clusters between 2 and 150 atoms.
AB - In this work we present an algorithm for finding the global minimum of the energy in atomic clusters. The proposed algorithm combines the Monte-Carlo Wang-Landau random walk, local minimizations and heuristic moves of the energetic surface atoms. We test the algorithm with the optimizations of Lennard-Jones clusters. The algorithm is able to obtain each one of the global energy minima that are reported for Lennard-Jones clusters between 2 and 150 atoms.
KW - Global minimization
KW - Lennard-Jones clusters
KW - Monte Carlo simulations
KW - Wang-Landau algorithm
UR - http://www.scopus.com/inward/record.url?scp=78650608953&partnerID=8YFLogxK
U2 - 10.3233/JCM-2009-0296
DO - 10.3233/JCM-2009-0296
M3 - Artículo
AN - SCOPUS:78650608953
SN - 1472-7978
VL - 9
SP - 215
EP - 221
JO - Journal of Computational Methods in Sciences and Engineering
JF - Journal of Computational Methods in Sciences and Engineering
IS - 4-6
ER -