Discovery of novel low dimensional and photocathode materials using materials data and simulations
Abstract/Contents
- Abstract
- Utilizing computational methods for uncovering new materials with desirable properties is a powerful tool for materials discovery. The grand goal of these approaches is to efficiently search through all of material space in order to find the best candidates for any application. Compared to traditional "trial-and-error" based materials discovery approaches, computational materials discovery allows for: i) a diverse range of materials can be explored, beyond the already successful spaces, ii) easier optimization over multiple performance metrics, and iii) statistically motivated insights into the materials space can be derived. However, discovering materials in this manner is a very difficult optimization problem that can involve assessing hundreds of thousands of candidate materials according to multiple selection criteria. Understanding how to best utilize these materials datasets is therefore an open problem that requires the development of screening methodologies. In this dissertation, I explore the use of data-driven materials discovery methods for discovering new assembly-free van der Waals heterostructures and high brightness photocathode materials. Additionally, I will discuss the development new machine-learning methodologies to improve the efficiency and success of computational-based material discovery efforts.
Description
| Type of resource | text |
|---|---|
| Form | electronic resource; remote; computer; online resource |
| Extent | 1 online resource. |
| Place | California |
| Place | [Stanford, California] |
| Publisher | [Stanford University] |
| Copyright date | 2021; ©2021 |
| Publication date | 2021; 2021 |
| Issuance | monographic |
| Language | English |
Creators/Contributors
| Author | Antoniuk, Evan Ronald William |
|---|---|
| Degree supervisor | Reed, Evan J |
| Thesis advisor | Reed, Evan J |
| Thesis advisor | Devereaux, Thomas Peter, 1964- |
| Thesis advisor | Martinez, Todd J. (Todd Joseph), 1968- |
| Degree committee member | Devereaux, Thomas Peter, 1964- |
| Degree committee member | Martinez, Todd J. (Todd Joseph), 1968- |
| Associated with | Stanford University, Department of Chemistry |
Subjects
| Genre | Theses |
|---|---|
| Genre | Text |
Bibliographic information
| Statement of responsibility | Evan Ronald William Antoniuk. |
|---|---|
| Note | Submitted to the Department of Chemistry. |
| Thesis | Thesis Ph.D. Stanford University 2021. |
| Location | https://purl.stanford.edu/ws092br2248 |
Access conditions
- Copyright
- © 2021 by Evan Ronald William Antoniuk
- License
- This work is licensed under a Creative Commons Attribution Non Commercial 3.0 Unported license (CC BY-NC).
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