7 citations · 13 across the 3 of their papers we have counts for
8 papers · 1 filter
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…
Efficient calculation of carrier scattering rates from first principles
Alex M. Ganose, Junsoo Park, Alireza Faghaninia +3
The electronic transport behaviour of materials determines their suitability for technological applications. We develop an efficient method for calculating carrier scattering rates…
High-throughput search for magnetic and topological order in transition metal oxides
Nathan C. Frey, Matthew K. Horton, Jason M. Munro +3
The discovery of intrinsic magnetic topological order in has invigorated the search for materials with coexisting magnetic and topological phases. These multi-orde…
Two-Dimensional Forms of Robust CO Reduction Photocatalysts
Steven B. Torrisi, Arunima K. Singh, Joseph H. Montoya +2
Novel photoelectrocatalysts that use sunlight to power the CO reduction reaction will be crucial for carbon-neutral power and energy-efficient industrial processes. Scalable ph…
Efficient Pourbaix diagrams of many-element compounds
Anjli Patel, Jens K. Nørskov, Kristin A. Persson +1
Pourbaix diagrams have long been an essential tool for determining the phase stability of solids and their associated ionic species under electrochemical conditions. In recent year…
Grain Boundary Properties of Elemental Metals
Hui Zheng, Xiang-Guo Li, Richard Tran +5
The structure and energy of grain boundaries (GBs) are essential for predicting the properties of polycrystalline materials. In this work, we use high-throughput density functional…