Asparagus: A toolkit for autonomous, user-guided construction of machine-learned potential energy surfaces

Töpfer, Kai; Vazquez-Salazar, Luis Itza; Meuwly, Markus

doi:10.1016/j.cpc.2024.109446

Computer Physics Communications

2025

DOI: 10.1016/j.cpc.2024.109446

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Asparagus: A toolkit for autonomous, user-guided construction of machine-learned potential energy surfaces

Kai Töpfer,

Luis Itza Vazquez-Salazar,

Markus Meuwly

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Asparagus: A toolkit for autonomous, user-guided construction of machine-learned potential energy surfaces

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References 90 publications

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