Northwestern University

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Filtering by: Keyword density functional theory Keyword materials discovery Subject Computational physics

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Data-Driven High-Throughput Materials Discovery and Knowledge Extraction

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