207 citations · 640 across the 7 of their papers we have counts for
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The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion
Tam Mayeshiba, Henry Wu, Thomas Angsten +5
The MAterials Simulation Toolkit (MAST) is a workflow manager and post-processing tool for ab initio defect and diffusion workflows. MAST codifies research knowledge and best pract…
Factors controlling oxygen migration barriers in perovskites
Tam Mayeshiba, Dane Morgan
Perovskites with fast oxygen ion conduction can enable technologies like solid oxide fuel cells. One component of fast oxygen ion conduction is low oxygen migration barrier. Here w…
Strain Effects on Oxygen Migration in Perovskites
Tam Mayeshiba, Dane Morgan
Fast oxygen transport materials are necessary for a range of technologies, including efficient and cost-effective solid oxide fuel cells, gas separation membranes, oxygen sensors,…
High-Throughput ab-initio Dilute Solute Diffusion Database
Henry Wu, Tam Mayeshiba, Dane Morgan
We demonstrate automated generation of diffusion databases from high-throughput density functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion syste…