Homework
Contents
Homework¶
The main “new thing” for today’s homework is the paper on the dielectric constants, which you saw in the final exercise in Tabular data. We recommend making that paper the priority, and then reviewing any of the code we went over yesterday/today as you need.
Reading¶
To recap some of the topics presented today in preparation for self-directed research, we suggest a few papers below on the Materials Project and its dielectric dataset. These papers can all be found in this Google Drive folder.
The perspective by Jain et al. [1].
The most critical sections are I, II, and V. The rest can be safely skipped.
The paper about the dielectric constants dataset on Materials Project (MP) by Ioannis Petousis et al. [2].
We strongly recommend reading the paper in its entirety because it gives a comprehensive (and not-too-specialized) discussion about the data format, the underlying science, and some interesting trends that can motivate your self-directed research. It’s not too long and mostly has tables and figures.
Again, to make your reading experience a little more interactive and to allow for more targeted questions, we’ll experiment with leaving comments directly on the PDF in Google Drive. You’re welcome to ask/answer questions, share observations/reactions, link related content, etc. Participation is optional, but encouraged if you do have questions or thoughts to share. 😊 Enze will periodically check the Google Drive to respond to your comments.
Programming¶
There will be no programming “homework” today as we’ve already looked at quite a bit of code. We recommend reviewing the lessons that were most unclear, and/or trying some new things with the framework we laid out. Examples include further exploring the dielectric constants dataset, pandas functions, Pymatgen functions, or anything else of interest to you. Along the way, if you have any questions or get stuck anywhere, please don’t hesitate to reach out and we’d be happy to help.
References¶
- 1
Anubhav Jain, Geoffroy Hautier, Shyue Ping Ong, and Kristin Persson. New opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationships. Journal of Materials Research, 31(8):977–994, 2016. doi:10.1557/jmr.2016.80.
- 2
Ioannis Petousis, David Mrdjenovich, Eric Ballouz, Miao Liu, Donald Winston, Wei Chen, Tanja Graf, Thomas D. Schladt, Kristin A. Persson, and Fritz B. Prinz. High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials. Scientific Data, 4(1):160134, 2017. doi:10.1038/sdata.2016.134.