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Molecular Dynamics Simulation Elementary Methods

 
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MessagePosté le: Lun 2 Mai - 21:40 (2016)    Sujet du message: Molecular Dynamics Simulation Elementary Methods Répondre en citant




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Molecular Dynamics Simulation Elementary Methods

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A significant advantage of using ab-initio methods is the ability to study reactions that involve breaking or formation of covalent bonds, which correspond to multiple electronic states. 1993 American Institute of Physics DOI: Key Topics Molecular dynamics 1.0 0 1.0 Commenting has been disabled for this content Submit comment Close Comment moderation successfully completed /content/aip/journal/cip/7/6/10.1063/1.4823234 Molecular Dynamics Simulation: Elementary Methods Comput. ^ Smith, A; CK Hall (2001). ^ Chakrabarty, A; T Cagin (2010). Netherlands Change My Account Cart Home Subjects About Wiley Contact Us Help Search Form Search Input . Back to Top . A molecular dynamics simulation requires the definition of a potential function, or a description of the terms by which the particles in the simulation will interact. doi:10.1073/pnas.1418982112.

Sel. F.; Bazant, M. E. About Wiley About Us Subjects Careers Events Locations Brands Investor Relations Resources Newsroom Resources Authors Instructors Students Librarians Societies Booksellers Customer Support Privacy Policy Site Map Contact Us Help Copyright 2000-2016 by John Wiley & Sons, Inc., or related companies. doi:10.1016/j.commatsci.2011.07.052. Harvey (1987) Dynamics of Proteins and Nucleic Acids. Another example is the Born (ionic) model of the ionic lattice.

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