A combined simulated annealing and quasi-Newton-like conjugate-gradient method for determining the structure of mixed argon-xenon clusters
| Autor: | Ionel Michael Navon, Franklin B. Brown, Daniel H. Robertson |
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| Rok vydání: | 1990 |
| Předmět: |
Mathematical optimization
General Chemical Engineering Monte Carlo method MathematicsofComputing_NUMERICALANALYSIS chemistry.chemical_element Adaptive simulated annealing Applied Microbiology and Biotechnology Potential energy Computational physics Maxima and minima Xenon chemistry Lattice (order) Conjugate gradient method Simulated annealing Biotechnology Mathematics |
| Zdroj: | Computers & Chemistry. 14:305-311 |
| ISSN: | 0097-8485 |
| DOI: | 10.1016/0097-8485(90)80037-3 |
| Popis: | This paper shows how various limited-memory quasi-Newton large-scale unconstrained minimization methods can be used to speed up the location of global minima of potential energy surfaces related to the structures of mixed Ar-Xe clusters. Both a simulated annealing method and a finite-temperature lattice-based Monte Carlo method are accelerated by the various quasi-Newton limited-memory methods which are then compared for computational efficiency. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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