Introduction to Materials Informatics

Prof. Wenhao Sun

Prof. Akira Miura

Hokkaido Summer School Website

July 25, Day 1

Lecture 1 Slides

Introduction to Data-Science and Materials Informatics

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Materials Genome Initiative
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Cross-Industry Standard for Data-Mining
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The Periodic Table as a Data Problem
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Lecture 2 Slides

Data Understanding, Data Preparation

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DFT
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Materials Project
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Pymatgen
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Object-Oriented Programming
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July 26, Day 2

Lecture 3 Slides

Lecture 3 Python Notebook

Hands on session using Materials Project API with Python Notebook

Querying the Materials Project
Preparing a Pandas Dataframe
Visualization
Implementation of a simple Random Forest Regressor.

Lecture 4 Slides

Introduction to Machine Learning

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Inductive vs. Deductive Analysis
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Sci-kit Learn
Machine-Learning considerations and pitfalls

Lecture 6 Slides

Figures, Good Bad Ugly

Lecture 7 Slides

Da Vinci
My data science story of Ternary Nitrides