Paper published in Digital Discovery

Thought Leadership published by Intellegens Limited

Intellegens CSO, Dr Gareth Conduit, is an organiser of the OPTIMADE project, which aims to promote collaboration and accelerate R&D in materials design by making it easier to access key sources of materials and crystallographic data. The project team has published a paper summarising progress.


The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enhancing the accessibility and discoverability of materials and chemical data. Since the first release of the OPTIMADE specification (v1.0), the API has undergone significant development, leading to the v1.2 release, and has underpinned multiple scientific studies. In this work, we highlight the latest features of the API format, accompanying software tools, and provide an update on the implementation of OPTIMADE in contributing materials databases. We end by providing several use cases that demonstrate the utility of the OPTIMADE API in materials research that continue to drive its ongoing development.

You can read the full paper here: Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange - Digital Discovery (RSC Publishing)

Publication details

Published in: Digital Discovery (2024)

Title: Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

Authors: Matthew L. Evans, et al.

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