Repozitorij Univerze v Novi Gorici

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Naslov:An artificial intelligence approach for modeling molecular self-assembly: Agent Based simulations of rigid molecules
Avtorji:Fortuna, Sara (Avtor)
Troisi, Alessandro (Avtor)
Datoteke:Gradivo nima datotek. Gradivo je morda fizično dosegljivo v knjižnici fakultete, zalogo lahko preverite v COBISS-u. Povezava se odpre v novem oknu
Jezik:Angleški jezik
Vrsta gradiva:Delo ni kategorizirano (r6)
Tipologija:1.01 - Izvirni znanstveni članek
Organizacija:UNG - Univerza v Novi Gorici
Opis:Agent-based simulations are rule-based models traditionally used for the simulations of complex systems. In this paper, an algorithm based on the concept of agent-based simulations is developed to predict the lowest energy packing of a set of identical rigid molecules. The agents are identified with rigid portions of the system under investigation, and they evolve following a set of rules designed to drive the system toward the lowest energy minimum. The algorithm is compared with a conventional Metropolis Monte Carlo algorithm, and it is applied on a large set of representative models of molecules. For all the systems studied, the agent-based method consistently finds a significantly lower energy minima than the Monte Carlo algorithm because the system evolution includes elements of adaptation (new configurations induce new types of moves) and learning (past successful choices are repeated).
Ključne besede:Self-assembly, self-organisation, agent based, Monte Carlo, rigid molecules, simulation
Leto izida:2009
Št. strani:9877-9885
Številčenje:29, 113
COBISS_ID:4530171 Povezava se odpre v novem oknu
URN:URN:SI:UNG:REP:MI5CGZWI
DOI:10.1021/jp9030442 Povezava se odpre v novem oknu
Število ogledov:2356
Število prenosov:0
Metapodatki:XML RDF-CHPDL DC-XML DC-RDF
Področja:Gradivo ni uvrščeno v področja.
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Skupna ocena:(0 glasov)
Vaša ocena:Ocenjevanje je dovoljeno samo prijavljenim uporabnikom.

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Gradivo je del revije

Naslov:Journal of Physical Chemistry B
Skrajšan naslov:J. Phys. Chem. B
Založnik:American Chemical Society
ISSN:1520-6106
Leto izida:2009

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