TY - JOUR
T1 - AFLUX
T2 - The LUX materials search API for the AFLOW data repositories
AU - Rose, Frisco
AU - Toher, Cormac
AU - Gossett, Eric
AU - Oses, Corey
AU - Nardelli, Marco Buongiorno
AU - Fornari, Marco
AU - Curtarolo, Stefano
N1 - Funding Information:
The authors thank Drs. O. Levy, I. Takeuchi, G. Hart, J. Carrete, J.J. Plata and N. Mingo for helpful discussions. This work is partially supported by DOD-ONR (N00014-13-1-0635, N00014-11-1-0136, N00014-09-1-0921), NIST #70NANB12H163 and by the Duke University—Center for Materials Genomics. C.T. and S.C. acknowledge partial support by DOE (DE-AC02-05CH11231), specifically the BES program under Grant #EDCBEE. C.O. acknowledges support from the National Science Foundation Graduate Research Fellowship under Grant No. DGF-1106401.
Publisher Copyright:
© 2017 Elsevier B.V.
PY - 2017/9
Y1 - 2017/9
N2 - Automated computational materials science frameworks rapidly generate large quantities of materials data for accelerated materials design. In order to take advantage of these large databases, users should have the ability to efficiently search and extract the desired data. Therefore, we have extended the data-oriented AFLOW-repository Application-Program-Interface (API) (Comput. Mater. Sci. 93, 178 (2014)) to enable programmatic access to search queries. A Uniform Resource Identifier (URI)-based search API is proposed for the construction of complex queries for remote creation and retrieval of customized data sets. It is expected that the new language, AFLUX, from “Automatic Flow of LUX (light)”, will enable remote search operations on the AFLOW set of computational materials science data repositories. In addition, AFLUX facilitates the verification and validation of the data in the AFLOW repositories.
AB - Automated computational materials science frameworks rapidly generate large quantities of materials data for accelerated materials design. In order to take advantage of these large databases, users should have the ability to efficiently search and extract the desired data. Therefore, we have extended the data-oriented AFLOW-repository Application-Program-Interface (API) (Comput. Mater. Sci. 93, 178 (2014)) to enable programmatic access to search queries. A Uniform Resource Identifier (URI)-based search API is proposed for the construction of complex queries for remote creation and retrieval of customized data sets. It is expected that the new language, AFLUX, from “Automatic Flow of LUX (light)”, will enable remote search operations on the AFLOW set of computational materials science data repositories. In addition, AFLUX facilitates the verification and validation of the data in the AFLOW repositories.
UR - http://www.scopus.com/inward/record.url?scp=85020924537&partnerID=8YFLogxK
U2 - 10.1016/j.commatsci.2017.04.036
DO - 10.1016/j.commatsci.2017.04.036
M3 - Article
AN - SCOPUS:85020924537
SN - 0927-0256
VL - 137
SP - 362
EP - 370
JO - Computational Materials Science
JF - Computational Materials Science
ER -