Lorentz Center - Open Databases Integration for Materials Design from 24 Oct 2016 through 28 Oct 2016
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    Open Databases Integration for Materials Design
    from 24 Oct 2016 through 28 Oct 2016

 

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

AiiDA

the Harvard Clean Energy Project Database

the Materials Project

the NoMaD (Novel Materials Discovery) Repository

the Open Quantum Materials Database

the Computational Materials Repository

the Data Catalyst Genome

 

The aim of the present workshop is to work in the direction of making these databases interoperational.

 



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