49 citations · 69 across the 4 of their papers we have counts for
4 papers · 1 filter
An Investigation in the Kinetic Persistence of TiO Polymorphs using Machine Learning Driven Pathfinding in Crystal Configuration Space
Max C. Gallant, David Mrdjenovich, Kristin A. Persson
As the number of theoretically predicted materials continues to grow, it becomes increasingly important to assess not only their thermodynamic stability but also their kinetic viab…
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Matthew L. Evans, Johan Bergsma, Andrius Merkys +56
The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enh…
The ab initio amorphous materials database: Empowering machine learning to decode diffusivity
Hui Zheng, Eric Sivonxay, Max Gallant +4
Amorphous materials exhibit unique properties that make them suitable for various applications in science and technology, ranging from optical and electronic devices and solid-stat…
2DMatPedia: An open computational database of two-dimensional materials from top-down and bottom-up approaches
Jun Zhou, Lei Shen, Miguel Dias Costa +6
Two-dimensional (2D) materials have been a hot research topic in the last decade, due to novel fundamental physics in the reduced dimension and appealing applications. Systematic d…