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

Wed, 01 Jan 2025 00:00:00 +0100

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)