Tutorial: Mapping the space of materials and molecules

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• Tamas Stenczel and Bingqing Cheng
• Monday 06 July 2020, 16:30-17:30
• virtual ZOOM meeting ID: 263 591 6003, https://zoom.us/j/2635916003.

If you have a question about this talk, please contact Bingqing Cheng .

Datasets in physics, chemistry and materials have become larger and larger. A typical dataset contains thousands to millions of atomistic structures, along with many physical properties.

In this tutorial, we will introduce a data-driven and automated workflow for visualizing and analyzing such structural datasets. We will first discuss about the underlying priciples, and then perform live demos using a command line tool, ASAP (https://github.com/BingqingCheng/ASAP). Finall we will showcase chemiscope.org and an interactive visualiser that works with ABCD (https://github.com/libAtoms/abcd).

This talk is part of the Machine learning in Physics, Chemistry and Materials discussion group (MLDG) series.

This talk is included in these lists:

• Hanchen DaDaDash
• Lennard-Jones Centre external
• Machine learning in Physics, Chemistry and Materials discussion group (MLDG)
• virtual ZOOM meeting ID: 263 591 6003, https://zoom.us/j/2635916003

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