most citedatoMEC: An open-source average-atom Python code

1 citations · 1 across the 2 of their papers we have counts for

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2 papers

cond-mat.mtrl-sci2024

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations

Attila Cangi, Lenz Fiedler, Bartosz Brzoza +11

We present the Materials Learning Algorithms (MALA) package, a scalable machine learning framework designed to accelerate density functional theory (DFT) calculations suitable for…

physics.plasm-ph2022★ 1 cited

atoMEC: An open-source average-atom Python code

Timothy J. Callow, Daniel Kotik, Eli Kraisler +1

Average-atom models are an important tool in studying matter under extreme conditions, such as those conditions experienced in planetary cores, brown and white dwarfs, and during i…