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dc.contributor.advisor Curtarolo, Stefano en_US
dc.contributor.author Taylor, Richard Hansen en_US
dc.date.accessioned 2012-05-25T20:11:23Z
dc.date.available 2012-05-25T20:11:23Z
dc.date.issued 2012 en_US
dc.identifier.uri http://hdl.handle.net/10161/5458
dc.description Thesis en_US
dc.description.abstract <p>Effective computational materials search, categorization, and design necessitates a high-throughput (HT) approach. System by system analyses lack the scope and speed needed to uncover large portions of the materials landscape. By performing broad searches over structural or chemical classes of materials and guided by fundamental physical principles, materials with specific desired properties can be systematically found. Furthermore, the HT approach is an effective general tool for materials classification. Depending on the application, various properties can be computed leading to powerful classification schemes. To implement HT materials studies, however, a versatile and robust framework must first be developed. In this paper, the HT framework AFLOW that has been developed and used successfully over the last decade is presented. Specifically, attention is given to an origin-specific symmetry algorithm. The algorithm is designed to determine the relevant symmetry properties of an arbitrary crystal structure (e.g., point group, space group, etc.).</p> en_US
dc.subject Materials Science en_US
dc.subject high-throughput en_US
dc.subject space group en_US
dc.subject symmetry en_US
dc.title A High-Throughput Framework for Materials Research And Space Group Determination Algorithm en_US
dc.type Thesis en_US
dc.department Mechanical Engineering and Materials Science en_US

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