Accelerated data-driven materials science with the Materials Project

Abstract: 

The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.

Author: 
Matthew K. Horton
Patrick Huck
Ruo Xi Yang
Jason M. Munro
Shyam Dwaraknath
Alex M. Ganose
Ryan S. Kingsbury
Mingjian Wen 
Jimmy X. Shen
Tyler S. Mathis
Aaron D. Kaplan 
Karlo Berket 
Janosh Riebesell
Janine George
Andrew S. Rosen
Evan W. C. Spotte-Smith
Matthew J. McDermott
Orion A. Cohen
Alex Dunn
Matthew C. Kuner
Gian-Marco Rignanese
Guido Petretto
David Waroquiers 
Sinead M. Griffin
Jeffrey B. Neaton
Daryl C. Chrzan
Mark Asta
Geoffroy Hautier 
Shreyas Cholia
Gerbrand Ceder
Shyue Ping Ong
Anubhav Jain
Kristin A. Persson 
Publication date: 
July 3, 2025
Publication type: 
Journal Article