Matches in DBpedia 2014 for { <http://dbpedia.org/resource/Monte_Carlo_molecular_modeling> ?p ?o. }
Showing items 1 to 30 of
30
with 100 items per page.
- Monte_Carlo_molecular_modeling abstract "Monte Carlo molecular modeling is the application of Monte Carlo methods to molecular problems. These problems can also be modeled by the molecular dynamics method. The difference is that this approach relies on equilibrium statistical mechanics rather than molecular dynamics. Instead of trying to reproduce the dynamics of a system, it generates states according to appropriate Boltzmann probabilities. Thus, it is the application of the Metropolis Monte Carlo simulation to molecular systems. It is therefore also a particular subset of the moregeneral Monte Carlo method in statistical physics.It employs a Markov chain procedure in order to determine a new state for a system from a previous one. According to its stochastic nature, this new state is accepted at random. Each trial usually counts asa move. The avoidance of dynamics restricts the method to studies of static quantities only, but the freedom to choose moves makes the method very flexible. These moves must only satisfy a basic condition ofbalance in order equilibrium be properly described, but detailed balance, a stronger condition,is usually imposed when designing new algorithms. An additional advantage is that some systems, such as the Ising model, lack a dynamical description and are only defined by an energy prescription; for these the Monte Carlo approach is the only one feasible.The great success of this method in statistical mechanics has led to various generalizations such as the method of simulated annealing for optimization, in which a fictitious temperature is introduced and then gradually lowered.".
- Monte_Carlo_molecular_modeling wikiPageExternalLink node25.html.
- Monte_Carlo_molecular_modeling wikiPageID "4542221".
- Monte_Carlo_molecular_modeling wikiPageRevisionID "584201142".
- Monte_Carlo_molecular_modeling hasPhotoCollection Monte_Carlo_molecular_modeling.
- Monte_Carlo_molecular_modeling subject Category:Molecular_modelling.
- Monte_Carlo_molecular_modeling subject Category:Monte_Carlo_methods.
- Monte_Carlo_molecular_modeling subject Category:Stochastic_models.
- Monte_Carlo_molecular_modeling subject Category:Theoretical_chemistry.
- Monte_Carlo_molecular_modeling type Assistant109815790.
- Monte_Carlo_molecular_modeling type CausalAgent100007347.
- Monte_Carlo_molecular_modeling type LivingThing100004258.
- Monte_Carlo_molecular_modeling type Model110324560.
- Monte_Carlo_molecular_modeling type Object100002684.
- Monte_Carlo_molecular_modeling type Organism100004475.
- Monte_Carlo_molecular_modeling type Person100007846.
- Monte_Carlo_molecular_modeling type PhysicalEntity100001930.
- Monte_Carlo_molecular_modeling type StochasticModels.
- Monte_Carlo_molecular_modeling type Whole100003553.
- Monte_Carlo_molecular_modeling type Worker109632518.
- Monte_Carlo_molecular_modeling type YagoLegalActor.
- Monte_Carlo_molecular_modeling type YagoLegalActorGeo.
- Monte_Carlo_molecular_modeling comment "Monte Carlo molecular modeling is the application of Monte Carlo methods to molecular problems. These problems can also be modeled by the molecular dynamics method. The difference is that this approach relies on equilibrium statistical mechanics rather than molecular dynamics. Instead of trying to reproduce the dynamics of a system, it generates states according to appropriate Boltzmann probabilities. Thus, it is the application of the Metropolis Monte Carlo simulation to molecular systems.".
- Monte_Carlo_molecular_modeling label "Monte Carlo molecular modeling".
- Monte_Carlo_molecular_modeling sameAs m.0c7zrq.
- Monte_Carlo_molecular_modeling sameAs Q6904703.
- Monte_Carlo_molecular_modeling sameAs Q6904703.
- Monte_Carlo_molecular_modeling sameAs Monte_Carlo_molecular_modeling.
- Monte_Carlo_molecular_modeling wasDerivedFrom Monte_Carlo_molecular_modeling?oldid=584201142.
- Monte_Carlo_molecular_modeling isPrimaryTopicOf Monte_Carlo_molecular_modeling.