Tutorial Workshop: Machine Learning in Materials Science

Data Science Institute, Columbia University

This workshop is in parallel to the MLSE 2020 Chemistry & Materials Science Track.

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Organizers: Nongnuch Artrith, Simon Billinge, Sanat Kumar, Alexander Urban (Columbia University)Debra Audus (National Institute of Standards and Technology)<a href="https://history.columbia.edu/person/connelly-matthew/" target="_blank" data-msys-clicktrack="0" rel="nofollow noopener noreferrer"></a>About: Tools from data science and machine learning are increasingly adopted in materials science, but most resources for beginners were originally developed with computer-science applications in mind. This workshop addresses the need to train materials scientists in this rapidly developing area by introducing state-of-the-art machine-learning methods for concrete materials science applications.After a general introduction lecture, different machine-learning approaches will be introduced in tutorials using actual materials data either from experiments or from simulations. Workshop participants will be able to work interactively on their own laptops.SUNDAY, DECEMBER 13 – DATA FROM SIMULATION9:00 AM - 9:30 AM: Overview: Machine Learning for Materials Science: Alexander Urban, Columbia University9:30 AM - 11:00 AM: Artificial Neural Network Potentials for Materials: Nongnuch Artrith, Columbia UniversityMONDAY, DECEMBER 14 – DATA FROM EXPERIMENT9:00 AM - 10:00 AM: Convolutional Neural Networks for Space-Group Classification: Simon Billinge, Columbia University10:00 AM - 11:00 AM: Machine-Learning X-ray Absorption Spectra: Mehmet Topsakal and Matthew Carbone, Brookhaven National LabTUESDAY, DECEMBER 15 – DATA FROM LITERATURE9:00 AM - 9:45 AM: Natural Language Processing in the Scientific Domain: Debra Audus, National Institute of Standards and Technology9:45 AM - 11:00 AM: Extracting Synthesis Planning Information with Natural Language Processing: Zach Jensen and Elsa Olivetti, Massachusetts Institute of Technology_____MLSE 2020 will run from December 14 - December 15, 2020.Learn More: <a href="http://MLSE2020.com/chemistry" target="_blank" data-msys-clicktrack="0" rel="nofollow noopener noreferrer">MLSE2020.com/chemistry </a>Google Colab Notebooks links below:Debra Audus: <a href="http://post.spmailtechnol.com/f/a/PDwR8h2qd3xDJcNcZU4bmQ~~/AAQxAQA~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" target="_blank" data-msys-clicktrack="0" rel="nofollow noopener noreferrer">HERE</a>Nong Artrith: <a href="http://post.spmailtechnol.com/f/a/XzNIby7PJ-BcxkYzcYMwNg~~/AAQxAQA~/RgRhtlNHP0RSaHR0cHM6Ly9kcml2ZS5nb29nbGUuY29tL2ZpbGUvZC8xVnk4TXhWbGtDUW5WdnBINWdQc21pNklwa3hHLWZzc20vdmlldz91c3A9c2hhcmluZ1cDc3BjQgoAR8cf1V-ggjxPUhhkYXRhc2NpZW5jZUBjb2x1bWJpYS5lZHVYBAAAAAA~" target="_blank" data-msys-clicktrack="0" rel="nofollow noopener noreferrer">HERE</a>Matthew Carbone/Mehmet Topsakal: <a href="https://drive.google.com/file/d/1QIj5zQ-6G8p2PNf8jlaiQu3513jvA2U1/view?usp=sharing" target="_blank" data-msys-clicktrack="0" rel="nofollow noopener noreferrer">HERE</a>Simon Billinge: <a href="https://colab.research.google.com/drive/1srsve4HQ-McRLvx7i7BLd-iBWQwKf5qq#scrollTo=mWk48kK4h4q5" target="_blank" data-msys-clicktrack="0" rel="nofollow noopener noreferrer">HERE</a>Zach Jensen: <a href="https://colab.research.google.com/drive/1f6KrdgvlmmQ1z_ERjE6saAo1LSq20s3a?usp=sharing" target="_blank" data-msys-clicktrack="0" rel="nofollow noopener noreferrer">HERE</a>There will be others available prior to the start of the workshop.

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