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CELL: a Python package for cluster expansion with a focus on complex alloys

Physics

CELL: a Python package for cluster expansion with a focus on complex alloys

S. Rigamonti, M. Troppenz, et al.

Discover CELL, a dynamic Python package for cluster expansion methods tailored to complex alloys, developed by Santiago Rigamonti, Maria Troppenz, Martin Kuban, Axel Hübner, and Claudia Draxl. With its modular framework, CELL adeptly handles various alloy systems, integrates advanced techniques for modeling, and leverages powerful visualization tools, promising innovative approaches to materials science.

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