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cond-mat.mtrl-sci2026
First-principles study of hydrogen diffusion in polycrystalline Nickel
Bhanuj Jain, Alaa Olleak, Junyan He +2
Hydrogen embrittlement in metals is strongly governed by hydrogen diffusion and trapping, yet predicting these effects in polycrystalline systems remains challenging. This work int…
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…