3 papers
cond-mat.mtrl-sci2021
OPTIMADE, an API for exchanging materials data
Casper W. Andersen, Rickard Armiento, Evgeny Blokhin +53
The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible an…
cond-mat.mtrl-sci2020
Machine learning with persistent homology and chemical word embeddings improves prediction accuracy and interpretability in metal-organic frameworks
Aditi S. Krishnapriyan, Joseph Montoya, Maciej Haranczyk +2
Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful…
cond-mat.mtrl-sci2018
Network analysis of synthesizable materials discovery
Muratahan Aykol, Vinay I. Hegde, Linda Hung +4
Assessing the synthesizability of inorganic materials is a grand challenge for accelerating their discovery using computations. Synthesis of a material is a complex process that de…