Materials design with density functional theory (DFT): a casual introduction

This video is a casual introduction to the fundamentals of density functional theory for materials design - no background knowledge required. Further resources mentioned in the video: 1. Jain, A.; Shin, Y.; Persson, K. A. Computational Predictions of Energy Materials Using Density Functional Theory. Nature Reviews Materials 2016, 1 (1), 15004. https://doi.org/10.1038/natrevmats.20.... 2. Marthinsen, Astrid. “Fundamentals and applications of density functional theory”. Virtual Simulation Lab,    • Fundamentals and applications of density f...   3. Sholl, D. S.; Steckel, J. A. Density Functional Theory: A Practical Introduction; Wiley: Hoboken, N.J, 2009. Chapter guide 00:00 Introduction 00:32 Li-ion battery - importance of materials design 01:26 Difficulty of modeling materials behavior: the Schrodinger equation 03:06 Density functional theory (DFT) fundamentals 03:55 The density functional 05:29 The charge density 07:00 Summary of DFT fundamentals 07:59 Limitations of DFT 08:17 DFT parameter choices 09:33 System size limitations and implications for materials modeling 11:42 Limitations to DFT physics 12:35 Translating to materials synthesis and manufacturing 13:11 Further resources