This chapter is aimed at readers interested in the topic of informatics-based approaches for accelerated materials discovery, but who are unfamiliar with the nuances of the underlying principles and various types of powerful mathematical tools that are involved in formulating structure-property relationships. In an attempt to simplify the workflow of materials informatics, we decompose the paradigm into several core subtasks: hypothesis generation, database construction, data pre-processing, mathematical modeling, model validation, and finally hypothesis testing. We discuss each task and provide illustrative case studies, which apply these methods to various functional ceramic materials.
|Original language||English (US)|
|Title of host publication||Materials Science and Engineering|
|Subtitle of host publication||Concepts, Methodologies, Tools, and Applications|
|Number of pages||32|
|State||Published - Jan 11 2017|
ASJC Scopus subject areas
- Materials Science(all)