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Matthias Scheffler

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Related publications (3)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Shared metadata for data-centric materials science

Tristan Bereau, Gian-Marco Rignanese, Giovanni Pizzi, Ronald Earle Miller, Matthias Scheffler, Carsten Baldauf

The expansive production of data in materials science, their widespread sharing and repurposing requires educated support and stewardship. In order to ensure that this need helps rather than hinders scientific work, the implementation of the FAIR-data prin ...

Nature Portfolio2023

OPTIMADE, an API for exchanging materials data

Nicola Marzari, Gian-Marco Rignanese, Giovanni Pizzi, Andrius Merkys, Matthias Scheffler, Martin Uhrin, Snehal Pramod Kumbhar, Boris Kozinsky, Christoph Leopold Talirz, Casper Welzel Andersen

The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v ...

NATURE PORTFOLIO2021

Reproducibility in density functional theory calculations of solids

François Gygi, Nicola Marzari, Gian-Marco Rignanese, Lorenzo Paulatto, Ivano Eligio Castelli, Matthias Scheffler

The widespread popularity of density functional theory has given rise to an extensive range of dedicated codes for predicting molecular and crystalline properties. However, each code implements the formalism in a different way, raising questions about the ...

American Association for the Advancement of Science2016