Research Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases

TitleResearch Update: The materials genome initiative: Data sharing and the impact of collaborative ab initio databases
Publication TypeJournal Article
Year of Publication2016
AuthorsAnubhav Jain, Kristin A. Persson, Gerbrand Ceder
JournalAPL Materials
Volume4
Issue5
Date Published05/2016
KeywordsComputer software, Data sets, Databases, density functional theory, Materials properties
Abstract

Materials innovations enable new technological capabilities and drive major societal advancements but have historically required long and costly development cycles. The Materials Genome Initiative (MGI) aims to greatly reduce this time and cost. In this paper, we focus on data reuse in the MGI and, in particular, discuss the impact of three different computational databases based on density functional theory methods to the research community. We also discuss and provide recommendations on technical aspects of data reuse, outline remaining fundamental challenges, and present an outlook on the future of MGI's vision of data sharing.

DOI10.1063/1.4944683