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http://dspace.mediu.edu.my:8181/xmlui/handle/1721.1/3663| Title: | First Principles Modeling for Research and Design of New Materials |
| Keywords: | first principles computation hydrogen storage materials rechargeable batteries |
| Issue Date: | 9-Oct-2013 |
| 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. Singapore-MIT Alliance (SMA) |
| URI: | http://koha.mediu.edu.my:8181/xmlui/handle/1721 |
| Other Identifiers: | http://hdl.handle.net/1721.1/3663 |
| Appears in Collections: | MIT Items |
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