"Asparagus: A toolkit for autonomous, user-guided construction of ..."

Kai Töpfer, Luis Itza Vazquez-Salazar, Markus Meuwly (2025)

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DOI: 10.1016/J.CPC.2024.109446

access: open

type: Journal Article

metadata version: 2024-12-22

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Kai Töpfer, Luis Itza Vazquez-Salazar, Markus Meuwly:
Asparagus: A toolkit for autonomous, user-guided construction of machine-learned potential energy surfaces. Comput. Phys. Commun. 308: 109446 (2025)

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