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dc.contributor.advisorKaiser, Timothy
dc.contributor.authorJohnson, Matthew
dc.date2011-08
dc.date.accessioned2007-01-03T06:13:09Z
dc.date.accessioned2022-02-03T10:23:13Z
dc.date.available2007-01-03T06:13:09Z
dc.date.available2022-02-03T10:23:13Z
dc.identifier.urihttps://hdl.handle.net/11124/401
dc.identifier.urihttp://dx.doi.org/10.25676/11124/401
dc.description.abstractThe Spanish Initiative for Electronic Simulations with Thousands of Atoms (SIESTA) is a powerful modeling tool that analyzes the electrodynamics of a molecule or solid. It can also evaluate the photoelectric characteristics of N-body systems like Si clathrate QDs. SIESTA has two solvers for finding Eigenvalues, of which one is chosen as default based on the number of atoms in the molecule or solid being characterized: the Order-N solver is the default solver for problems with more than 1000 atoms; and the Diagon solver is the standard diagonalization algorithm. In an application in renewable energy materials, SIESTA can be used to characterize the electrical properties of many different molecular structures. By offering multiple solution algorithms, SIESTA is able to efficiently characterize molecules of many different sizes. This allows SIESTA to be scaled based on the size of the molecule it is characterizing.
dc.format.mediumposters
dc.languageEnglish
dc.language.isoeng
dc.publisherColorado School of Mines. Arthur Lakes Library
dc.relation.ispartof2011 NSF Research Experiences for Undergraduates posters and presentations
dc.rightsCopyright of the original work is retained by the author.
dc.titleHigh performance computing applications for material physics
dc.typeText
dc.typeStillImage


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