New data mining resource for organic materials available

ScienceDaily | 3/6/2017 | Staff
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Published by the Condensed Matter research group at the Nordic Institute for Theoretical Physics (NORDITA) at KTH Royal Institute of Technology in Sweden, the Organic Materials Database is intended as a data mining resource for research into the electric and magnetic properties of crystals, which are primarily defined by their electronic band structure -- an energy spectrum of electrons motion which stem from their quantum-mechanical properties.

Computer calculation of such structures is difficult and demands large computational resources. But thanks to advances in computational power and a high demand for prediction of materials with target properties, a new way of dealing with quantum materials has developed. Materials informatics focuses on performing -- and developing tools for -- high-throughput computing and data mining.

Informatics - Analysis - Properties - Compound - Resources

"You can think of it as aggregate informatics analysis, where the properties of a single compound are captured approximately and resources are aimed toward understanding global trends within the large datasets," says Alexander Balatsky, Professor of Theoretical Physics at KTH.

Applications of this informatics-driven approach are wide-ranging and cover, for example, the search for various functional materials with special electrical, optical and magnetic properties, including the 2016 Nobel Prize-winning topological states of matter -- an important building block of a quantum computer.

Database

The database will facilitate...
(Excerpt) Read more at: ScienceDaily
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