Theoretical Prediction of Properties of Atomistic Systems : : Density Functional Theory and Machine Learning.
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| Superior document: | Linköping Studies in Science and Technology. Dissertations Series ; v.1868 |
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| Place / Publishing House: | Linköping : : Linkopings Universitet,, 2017. {copy}2017. |
| Year of Publication: | 2017 |
| Edition: | 1st ed. |
| Language: | English |
| Series: | Linköping Studies in Science and Technology. Dissertations Series
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| Online Access: | |
| Physical Description: | 1 online resource (81 pages) |
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Table of Contents:
- Intro
- Abstract
- Svensk sammanfattning
- Preface
- CONTENTS
- ACRONYMS
- INTRODUCTION
- DENSITY FUNCTIONAL THEORY
- MODEL SYSTEM APPROACH TO KINETIC ENERGY FUNCTIONALS
- PROPERTIES OF THE AK13 E XCHANGE FUNCTIONAL
- MACHINE LEARNING
- CONCLUSIONS
- APPENDIX
- BIBLIOGRAPHY
- LIST OF FIGURES
- LIST OF PUBLICTIONS AND MY CONTRIBUTION.