Generalized Simulated Annealing Studies on Structures and Properties of Nin(n= 2−55) Clusters
نویسندگان
چکیده
منابع مشابه
Generalized simulated annealing: Application to silicon clusters
We have compared the recently introduced generalized simulated annealing ~GSA! with conventional simulated annealing ~CSA!. GSA was tested as a tool to obtain the ground-state geometry of molecules. We have used selected silicon clusters (Sin , n54 – 7,10) as test cases. Total energies were calculated through tightbinding molecular dynamics. We have found that the replacement of Boltzmann stati...
متن کاملGeneralized Simulated Annealing
We propose a new stochastic algorithm (generalized simulated annealing) for computationally finding the global minimum of a given (not necessarily convex) energy/cost function defined in a continuous D-dimensional space. This algorithm recovers, as particular cases, the so called classical (“Boltzmann machine”) and fast (“Cauchy machine”) simulated annealings, and can be quicker than both. Key-...
متن کاملGeneralized simulated annealing applied to protein folding studies
During the last few years, computational simulations based on the atomic description of biological molecules have resulted in significant advances in the comprehension of biological processes. It is well known, however, that a molecular system may have a great number of conformations due to the large number of rotation of degrees of freedom around chemical bonds, leading to several local minima...
متن کاملRelative Frequencies of Generalized Simulated Annealing
We consider a class of non-homogeneous Markov chains arising in simulated annealing and related stochastic search algorithms. Using only elementary first principles, we analyze the convergence and rate of convergence of the relative frequencies of visits to states in the Markov chain. We describe in detail three examples, including the standard simulated annealing algorithm, to show how our fra...
متن کاملOn Simulated Annealing and Nested Annealing
Simulated Annealing is a family of randomized algorithms used to solve many combinatorial optimization problems. In practice they have been applied to solve some presumably hard (e.g., NP-complete) problems. The level of performance obtained has been promising [5, 2, 6, 14]. The success of this heuristic technique has motivated analysis of this algorithm from a theoretical point of view. In par...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2000
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp992923q