First Principles Modeling for Research and Design of New Materials

Please use this identifier to cite or link to this item: http://dspace.mediu.edu.my:8181/xmlui/handle/1721.1/3663

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DC Field	Value	Language
dc.creator	Ceder, Gerbrand	-
dc.date	2003-11-10T19:39:44Z	-
dc.date	2003-11-10T19:39:44Z	-
dc.date	2003-01	-
dc.date.accessioned	2013-10-09T02:31:52Z	-
dc.date.available	2013-10-09T02:31:52Z	-
dc.date.issued	2013-10-09	-
dc.identifier	http://hdl.handle.net/1721.1/3663	-
dc.identifier.uri	http://koha.mediu.edu.my:8181/xmlui/handle/1721	-
dc.description	First principles computation can be used to investigate an design materials in ways that can not be achieved with experimental means. We show how computations can be used to rapidly capture the essential physics that determines the useful properties in different applications. Some applications for predicting crystal structure, thermodynamic and kinetic properties, and phase stability are discussed. This first principles tool set will be demonstrated with applications from rechargeable batteries and hydrogen storage materials.	-
dc.description	Singapore-MIT Alliance (SMA)	-
dc.format	112624 bytes	-
dc.format	application/pdf	-
dc.language	en_US	-
dc.relation	Advanced Materials for Micro- and Nano-Systems (AMMNS);	-
dc.subject	first principles computation	-
dc.subject	hydrogen storage materials	-
dc.subject	rechargeable batteries	-
dc.title	First Principles Modeling for Research and Design of New Materials	-
dc.type	Article	-
Appears in Collections:	MIT Items

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