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Molecular Dynamics Simulation

dc.date.accessioned2021-02-11T20:04:34Z
dc.date.available2021-02-11T20:04:34Z
dc.date.issued2014*
dc.date.submitted2015-01-12 11:36:09*
dc.identifier16625*
dc.identifier.urihttps://directory.doabooks.org/handle/20.500.12854/53835
dc.description.abstractCondensed matter systems, ranging from simple fluids and solids to complex multicomponent materials and even biological matter, are governed by well understood laws of physics, within the formal theoretical framework of quantum theory and statistical mechanics. On the relevant scales of length and time, the appropriate ‘first-principles’ description needs only the Schroedinger equation together with Gibbs averaging over the relevant statistical ensemble. However, this program cannot be carried out straightforwardly—dealing with electron correlations is still a challenge for the methods of quantum chemistry. Similarly, standard statistical mechanics makes precise explicit statements only on the properties of systems for which the many-body problem can be effectively reduced to one of independent particles or quasi-particles. [...]*
dc.languageEnglish*
dc.subject.otherMalliavin Weight Sampling*
dc.subject.otherMolecular Dynamics*
dc.subject.otherNonadiabatic Molecular Dynamics*
dc.subject.otherMarkov State Models*
dc.subject.otherComputer Simulations*
dc.subject.otherMultiparticle Collision*
dc.titleMolecular Dynamics Simulation*
dc.typebook
oapen.relation.isPublishedBy46cabcaa-dd94-4bfe-87b4-55023c1b36d0*
oapen.relation.isbn9783906980669*
oapen.relation.isbn9783906980652*
oapen.pages628*
oapen.edition1*


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