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DTSTAMP:20210916T132455Z
LOCATION:Michel Mayor
DTSTART;TZID=Europe/Stockholm:20210709T150000
DTEND;TZID=Europe/Stockholm:20210709T153000
UID:submissions.pasc-conference.org_PASC21_sess110_msa243@linklings.com
SUMMARY:OPTIMADE: A Common REST API for Materials Databases Interoperabili
 ty
DESCRIPTION:Minisymposium\n\nOPTIMADE: A Common REST API for Materials Dat
 abases Interoperability\n\nRignanese\n\nIn the last decades, a number of m
 aterials databases have become available online. Most of these can be acce
 ssed via a graphical web interface which targets a “low-throughput&r
 dquo; human usage but that is not very well suited for a systematic &ldquo
 ;high-throughput” computational approach. In fact, in order to take 
 full advantage of modern data‑analytics techniques, it is essential 
 that these databases also become accessible through an application program
 ming interface (API). It would actually be even more beneficial to h
 ave access to information originating from multiple databases as they ofte
 n cover different material families and properties. Nonetheless, retrievin
 g data from multiple databases is difficult since the existing APIs 
 are different from one database to another. In order to overcome these pro
 blems, the OPTIMADE API was developed. It was designed so that it can be i
 mplemented without significant changes to the established back-end c
 ode, and, furthermore, adopting the API is straightforward for the end use
 r. The OPTIMADE specification version 1.0.0 [1] is supported by lead
 ing databases such as AFLOW, the Materials Cloud, the Materials Project, N
 OMAD, OQMD, ... Currently, the returned properties comprise both mandatory
  information about the structure (such as the elements the lattice vectors
 ), as well as optional and database-specific information.In this talk, I w
 ill outline some key features of the API specification. I will illustrate 
 its usage through some examples. Finally, I will discuss how it would bene
 fit from more fundamental work on an ontology for materials databases.<br 
 />[1] C.W. Andersen <em>et al.</em>, zenodo, https://doi.org/10.5281/zenod
 o.4195051\n\nDomain: Chemistry and Materials, Physics, Engineering
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