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

Title:
Asparagus: A toolkit for autonomous, user-guided construction of machine-learned potential energy surfaces
Authors:
Töpfer, Kai ⁎, 1, Vazquez-Salazar, Luis Itza 1, 2, Meuwly, Markus ⁎
Source:
In Computer Physics Communications March 2025 308
Database:
ScienceDirect