Asparagus: A Toolkit for Autonomous, User-Guided Construction of Machine-Learned Potential Energy Surfaces.

Mon, 01 Jan 2024 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. CoRR abs/2407.15175 (2024)