Homework
Contents
Homework¶
Today’s “homework” is a mix of reading and programming.
Reading¶
To help prepare for tomorrow’s tutorial on MI, please read the following papers, which can 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 by Kyle Michel and Bryce Meredig [2].
The exact schema (Physical Information File) is not important, but pay attention to their motivations and design choices, because they raise important issues.
Reading the abstract and figures closely should be the focus.
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. We’ve left a few comments on the two documents as a demonstration. Participation is optional, but encouraged if you do have questions or thoughts to share. This way we have full context for your questions, the discussion is preserved and organized (opposed to a stream of consciousness on Slack), and everyone can benefit from the discussion. 😊 Enze will periodically check the Google Drive to respond to your comments, but you can also ping him for a faster response.
Programming¶
Today’s programming assignment is intended to be a Python primer. These are some core concepts in the Python language and NumPy [3] that we believe are important for you to learn. As we move forward, we will be building on these concepts and you might find yourself applying them in your self-directed research.
There are several exercises in Python: The gory details to help you build familiarity with the language. The notebook introduces the language from the very beginning, so even if you know these concepts already, we hope you will find the review helpful.
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
Kyle Michel and Bryce Meredig. Beyond bulk single crystals: A data format for all materials structure–property–processing relationships. MRS Bulletin, 41(8):617–623, 2016. doi:10.1557/mrs.2016.166.
- 3
Charles R. Harris, K. Jarrod Millman, Stéfan J. van der Walt, Ralf Gommers, Pauli Virtanen, David Cournapeau, Eric Wieser, Julian Taylor, Sebastian Berg, Nathaniel J. Smith, Robert Kern, Matti Picus, Stephan Hoyer, Marten H. van Kerkwijk, Matthew Brett, Allan Haldane, Jaime Fernández del Río, Mark Wiebe, Pearu Peterson, Pierre Gérard-Marchant, Kevin Sheppard, Tyler Reddy, Warren Weckesser, Hameer Abbasi, Christoph Gohlke, and Travis E. Oliphant. Array programming with NumPy. Nature, 585(7825):357–362, 2020. doi:10.1038/s41586-020-2649-2.