Repository logo
 

Magnetic and superconducting phase diagrams and transition temperatures predicted using text mining and machine learning

Published version
Peer-reviewed

Change log

Authors

Court, CJ 

Abstract

jats:titleAbstract</jats:title>jats:pPredicting the properties of materials prior to their synthesis is of great importance in materials science. Magnetic and superconducting materials exhibit a number of unique properties that make them useful in a wide variety of applications, including solid oxide fuel cells, solid-state refrigerants, photon detectors and metrology devices. In all these applications, phase transitions play an important role in determining the feasibility of the materials in question. Here, we present a pipeline for fully integrating data extracted from the scientific literature into machine-learning tools for property prediction and materials discovery. Using advanced natural language processing (NLP) and machine-learning techniques, we successfully reconstruct the phase diagrams of well-known magnetic and superconducting compounds, and demonstrate that it is possible to predict the phase-transition temperatures of compounds not present in the database. We provide the tool as an online open-source platform, forming the basis for further research into magnetic and superconducting materials discovery for potential device applications.</jats:p>

Description

Keywords

34 Chemical Sciences, 51 Physical Sciences, 5104 Condensed Matter Physics

Journal Title

npj Computational Materials

Conference Name

Journal ISSN

2057-3960
2057-3960

Volume Title

6

Publisher

Springer Science and Business Media LLC
Sponsorship
Royal Commission for the Exhibition of 1851 (DF/05/14)
Royal Academy of Engineering (RAEng) (RCSRF1819\7\10)
Engineering and Physical Sciences Research Council (EP/L015552/1)
EPSRC, Royal Commission for the Exhibition 1851, DOE Office of Science, BASF/Royal Academy of Engineering, STFC