OVITO Python modifier to compute the Warren-Cowley parameters.
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Updated
May 17, 2024 - Python
OVITO Python modifier to compute the Warren-Cowley parameters.
OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ordered structures corresponding to a given disordered structure.
Computational tools for simulation of high-entropy alloy surfaces
Screen high entropy alloys(HEA) as electrocatalyst for ORR, by using regression model to predict the *OH absorbation energy.And feature engineering is also used to data augment.
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