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

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 upcoming 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

Modelación de la decianuración con H₂O₂ de aguas residuales en la industria de recubrimientos metálicos.

ISSN: 2007-8102International audienceThis work presents the development of a dynamic mathematic model useful for predicting the concentration of hydrogen peroxide used for the decyanidation in wastewater treatment. The quantitative model based on the physical-chemistry classical theory of the decyanidation process developed and validated on Mattlab® with real data of the process of decyanidation. The tool will be useful in decision making for the engineers and operators process involved in the control and supervision during real-time operation of the decyanidation of wawtewater in the metal finishing industry, improving in the process the operating conditions, efficiency, reliability and safety