Index Catalog // Arch : Northwestern University Institutional Repository

Description:: The field of materials discovery is undergoing an unprecedented transition from laboratory tocomputer. Behind this transition is the new ability to accurately compute material properties, especially energetic stability, from first principles with density functional theory (DFT). However, DFT remains computationally expensive, and DFT-based materials discovery is intractable, especially in high...
Keyword:: High throughput, Inorganic compounds, Big data, Density functional theory, Materials discovery, and Machine learning
Subject:: Materials Science, Condensed matter physics, and Computational chemistry
Creator:: Griesemer, Sean Darius
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 05/31/2023
Date Created:: 2023-01-01
Resource Type:: Dissertation
Alternate Identifier:: http://dissertations.umi.com/northwestern:16606 and etdadmin_upload_986816

Description:: Since its introduction as an artist’s pigment in the earth 20th century, titanium white has become one of the most common white pigments. The early formulations of titanium white contained anatase, which has been studied to facilitate degradation of oil paint under UV illumination. Around the 1940s production shifted to...
Subject:: Materials Science and Computational chemistry
Creator:: Schmitt, Thomas
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 02/16/2023
Date Created:: 2022-01-01
Resource Type:: Dissertation
Alternate Identifier:: etdadmin_upload_941215 and http://dissertations.umi.com/northwestern:16325

Description:: One of the grand challenges in science is development of soft materials that mimic living organisms to optimize the way we use energy, translate or morph reversibly or sense their envi- ronment and respond in a useful fashion. Using the insights from studying biological structures, we hope to design soft...
Subject:: Materials Science, Biochemistry, and Computational chemistry
Creator:: Iscen, Aysenur
Owner:: Scholarly Digital Publishing
Language:: en
Date Uploaded:: 02/12/2020
Date Created:: 2019-01-01
Resource Type:: Dissertation
Alternate Identifier:: http://dissertations.umi.com/northwestern:14770 and etdadmin_upload_679718

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