Open Databases Integration for Materials Design

Other names: OPTIMADE, optimade

Designing new materials suitable for specific applications is a long, complex, and costly process. Researchers think of new ideas based on intuition and experience. Their synthesis and evaluation require a tremendous amount of trial and error. In the last few years, there has been a major game change in materials design. Thanks to the exponential growth of computer power and the development of robust first-principles electronic structure codes, it has become possible to perform large sets of calculations automatically. This is the burgeoning area of high-throughput ab initio computation. Such calculations have been used to create large databases containing the calculated properties of existing and hypothetical materials, many of which have appeared online: - the AFLOW distributed materials property repository - the Harvard Clean Energy Project Database - the Materials Cloud - the Materials Project - the NoMaD (Novel Materials Discovery) Repository - the Open Quantum Materials Database - the Computational Materials Repository - the Data Catalyst Genome - the Materials Platform for Data Science - the Joint Automated Repository for Various Integrated Simulations … The Open Databases Integration for Materials Design (OPTIMADE) consortium aims to make materials databases interoperational by developing a common REST API.

Webpage:
https://www.optimade.org

Licence:
Name: MIT

Publications:

Tags:

computer science biological physics

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