Cyberinfrastructures

• OpenKIM — The Open Knowledgebase of Interatomic Models (OpenKIM) project archives interatomic potentials, develops API standards to make potentials portable between simulation codes, and develops methods to assess the accuracy and transferability of potentials.
• CAMS — The cyberinfrastructure for Atomistic Materials Science (CAMS) serves as a forum for disseminating new atomistic scale methodologies, and educating non-experts and the next generation of computational materials scientists.

Educational Resources

• Part 1 | Part 2 — Two part blog post by Bryce Meredig (Citrine) on using open source tools and data to get started with machine learning for materials science.
• Data Science Venn Diagram — A post by Drew Conway on the training needed by data scientists.
• Introduction to Data Science with R — Course materials for "Introduction to Data Science with R", a video course by RStudio and O'Reilly Media.
• Citrine Newsletter — Data-driven materials science & chemistry newsletter by Citrine Informatics. Providing a nucleation point and timely updates for the fast-growing materials and chemical data & informatics community.
• Woz U Data Science Program — Data Science program offered by "Woz U", a non-degree online training provider inspired by Steve Wozniak, co-founder of Apple Computer, focused on the fundamentals of computer science, statistics, and applied mathematics, while incorporating real-world examples.

Materials Data Repositories

• Materials Project — The Materials Project provides open web-based access to information computed using electronic structure methods on known and predicted materials as well as powerful analysis tools to inspire and design novel materials.
• AFLOW — The Automatic-flow (AFLOW) project is a searchable repository of material properties obtained using high-throughput ab initio electronic structure computations.
• NoMaD — The NoMaD (Novel Materials Discovery) Repository hosts, organizes and shares material data calculated using ab initio electronic-structure methods.

Material Informatics

• NanoMine — NanoMine is an online modular platform of material informatics and simulation tools for predicting polymer nanocomposite properties.