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- 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.".
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- Monte_Carlo_molecular_modeling wikiPageWikiLink Boltzmann_distribution.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Bond_fluctuation_model.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Category:Molecular_modelling.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Category:Monte_Carlo_methods.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Category:Stochastic_models.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Category:Theoretical_chemistry.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Detailed_balance.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Ising_model.
- Monte_Carlo_molecular_modeling wikiPageWikiLink List_of_software_for_Monte_Carlo_molecular_modeling.
- Monte_Carlo_molecular_modeling wikiPageWikiLink List_of_software_for_molecular_mechanics_modeling.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Markov_chain.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Molecular_dynamics.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Monte_Carlo_method.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Monte_Carlo_method_in_statistical_physics.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Quantum_Monte_Carlo.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Simulated_annealing.
- Monte_Carlo_molecular_modeling wikiPageWikiLink Statistical_mechanics.
- Monte_Carlo_molecular_modeling wikiPageWikiLinkText "Monte Carlo molecular modeling".
- Monte_Carlo_molecular_modeling wikiPageWikiLinkText "Monte Carlo".
- Monte_Carlo_molecular_modeling wikiPageUsesTemplate Template:Cite_book.
- 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 hypernym Application.
- Monte_Carlo_molecular_modeling type Model.
- Monte_Carlo_molecular_modeling type Software.
- Monte_Carlo_molecular_modeling type Mechanic.
- Monte_Carlo_molecular_modeling type Method.
- Monte_Carlo_molecular_modeling type Model.
- Monte_Carlo_molecular_modeling type Physic.
- Monte_Carlo_molecular_modeling type Process.
- 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 Q6904703.
- Monte_Carlo_molecular_modeling sameAs m.0c7zrq.
- Monte_Carlo_molecular_modeling sameAs Q6904703.
- Monte_Carlo_molecular_modeling wasDerivedFrom Monte_Carlo_molecular_modeling?oldid=584201142.
- Monte_Carlo_molecular_modeling isPrimaryTopicOf Monte_Carlo_molecular_modeling.