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- Molecular_dynamics abstract "Molecular dynamics (MD) is a computer simulation of physical movements of atoms and molecules in the context of N-body simulation. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of atoms and molecules are determined by numerically solving the Newton's equations of motion for a system of interacting particles, where forces between the particles and potential energy are defined by molecular mechanics force fields. The method was originally conceived within theoretical physics in the late 1950s but is applied today mostly in chemical physics, materials science and the modeling of biomolecules.Because molecular systems consist of a vast number of particles, it is impossible to find the properties of such complex systems analytically; MD simulation circumvents this problem by using numerical methods. However, long MD simulations are mathematically ill-conditioned, generating cumulative errors in numerical integration that can be minimized with proper selection of algorithms and parameters, but not eliminated entirely.For systems which obey the ergodic hypothesis, the evolution of a single molecular dynamics simulation may be used to determine macroscopic thermodynamic properties of the system: the time averages of an ergodic system correspond to microcanonical ensemble averages. MD has also been termed "statistical mechanics by numbers" and "Laplace's vision of Newtonian mechanics" of predicting the future by animating nature's forces and allowing insight into molecular motion on an atomic scale.".
- Molecular_dynamics thumbnail Cudeposition.gif?width=300.
- Molecular_dynamics wikiPageExternalLink deshawresearch.com.
- Molecular_dynamics wikiPageExternalLink h.bekker.
- Molecular_dynamics wikiPageExternalLink gpugrid.net.
- Molecular_dynamics wikiPageExternalLink 5838.
- Molecular_dynamics wikiPageExternalLink 7570.
- Molecular_dynamics wikiPageExternalLink bluegene.
- Molecular_dynamics wikiPageExternalLink Problems_and_Solutions_Molecular_Simulations_in_Mechanics_and_Physics.
- Molecular_dynamics wikiPageExternalLink doku.php.
- Molecular_dynamics wikiPageExternalLink md.html.
- Molecular_dynamics wikiPageExternalLink Materials_modelling_and_computer_simulation_codes.
- Molecular_dynamics wikiPageExternalLink 00268976.asp.
- Molecular_dynamics wikiPageExternalLink watch?v=x8Atqz5YvzQ.
- Molecular_dynamics wikiPageID "198608".
- Molecular_dynamics wikiPageRevisionID "606757663".
- Molecular_dynamics autor "M. Griebel, S. Knapek, G. Zumbusch".
- Molecular_dynamics hasPhotoCollection Molecular_dynamics.
- Molecular_dynamics isbn "978".
- Molecular_dynamics jahr "2007".
- Molecular_dynamics ort "Berlin, Heidelberg".
- Molecular_dynamics titel "Numerical Simulation in Molecular Dynamics".
- Molecular_dynamics verlag "Springer".
- Molecular_dynamics subject Category:Computational_chemistry.
- Molecular_dynamics subject Category:Molecular_dynamics.
- Molecular_dynamics subject Category:Molecular_modelling.
- Molecular_dynamics type Genre.
- Molecular_dynamics type MusicGenre.
- Molecular_dynamics type TopicalConcept.
- Molecular_dynamics type Concept.
- Molecular_dynamics comment "Molecular dynamics (MD) is a computer simulation of physical movements of atoms and molecules in the context of N-body simulation. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms.".
- Molecular_dynamics label "Dinamica molecolare".
- Molecular_dynamics label "Dinámica molecular".
- Molecular_dynamics label "Dinâmica molecular".
- Molecular_dynamics label "Dynamika molekularna".
- Molecular_dynamics label "Dynamique moléculaire".
- Molecular_dynamics label "Moleculaire dynamica".
- Molecular_dynamics label "Molecular dynamics".
- Molecular_dynamics label "Moleküldynamik".
- Molecular_dynamics label "Метод классической молекулярной динамики".
- Molecular_dynamics label "分子动力学".
- Molecular_dynamics label "分子動力学法".
- Molecular_dynamics sameAs Moleküldynamik.
- Molecular_dynamics sameAs Dinámica_molecular.
- Molecular_dynamics sameAs Dynamique_moléculaire.
- Molecular_dynamics sameAs Dinamica_molecolare.
- Molecular_dynamics sameAs 分子動力学法.
- Molecular_dynamics sameAs 분자동역학.
- Molecular_dynamics sameAs Moleculaire_dynamica.
- Molecular_dynamics sameAs Dynamika_molekularna.
- Molecular_dynamics sameAs Dinâmica_molecular.
- Molecular_dynamics sameAs m.01c66g.
- Molecular_dynamics sameAs Q901663.
- Molecular_dynamics sameAs Q901663.
- Molecular_dynamics wasDerivedFrom Molecular_dynamics?oldid=606757663.
- Molecular_dynamics depiction Cudeposition.gif.
- Molecular_dynamics isPrimaryTopicOf Molecular_dynamics.