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Filtering by: Keyword density functional theory Keyword materials discovery Language en

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Description:: Recent advances in high-performance computing have resulted in massive databases of materials properties calculated with techniques such as ab initio density functional theory. In fact, some of the largest of such databases have calculations of nearly all distinct, ordered, experimentally-reported compounds. This thesis discusses the application of data in one...
Keyword:: high-pressure, OQMD, complex networks, density functional theory, high-throughput, and materials discovery
Subject:: Materials Science and Computational physics
Creator:: Ishwar Hegde, Vinay
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 02/01/2021
Date Created:: 2019-01-01
Resource Type:: Dissertation
Alternate Identifier:: etdadmin_upload_780845 and http://dissertations.umi.com/northwestern:15403

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