# Introductory Resources for New Students

See also ccCAT website.

## Methods

- book: Conceptual Foundations of Materials, chapters 1, 2, 4. abstracts
- Ann E Mattsson
*et al.*, *Modelling Simul. Mater. Sci. Eng.* 13 R1 (2005) abstract
- Martin Head-Gordon and Emilio Artacho, "Chemistry on the computer," Physics Today 2008 article
- Andrew Zangwill, "A half century of density functional theory," Physics Today 2015. article
- "Density Functional Theory: Past, present, ... future?" from Psi-K newsletter
- "A Tutorial on Density Functional Theory," from Springer DFT book, some practical details about calculations
- DA Strubbe, L Lehtovaara, A Rubio, MAL Marques, and SG Louie, "Response functions in TDDFT: concepts and implementation," in Fundamentals of Time-dependent density-functional theory, edited by MAL Marques, N Maitra, F Nogueira, EKU Gross, and A Rubio, Lecture Notes in Physics (Springer-Verlag Berlin 2012), pp. 139-166. link

## Applications

- "Computational predictions of energy materials using density functional theory," review article from Nature Materials on example applications
- "Success Stories of eminent research in ab-initio calculations," from Psi-K newsletter
- "How Supercomputers Will Yield a Golden Age of Materials Science," from Scientific American

## Solar Energy

- TU Delft textbook from EdX course on solar energy: PDF
- Sarah Kurtz, Nancy Haegel, Ronald Sinton, and Robert Margolis, "A new era for solar,"
*Nat. Photon.* 11, 3 (2017). article

## Computational

- Zeeya Merali, "...Error...why scientific programming does not compute,"
*Nature News*, 467, 775-777 (2010) link
- Greg Wilson
*et al.*, "Best Practices for Scientific Computing," *PLOS Biology* 12, e1001745 (2014) link
- Pablo García-Risueño and Pablo E. Ibáñez, "A review of High Performance Computing foundations for scientists," arXiv:1205.5177 (2012) link
- coding tutorial: quantum dots. download, see file
`doc/guide.pdf` for instructions