Outlier-Detection for Reactive Machine Learned Potential Energy Surfaces. - Luis Itza Vazquez-Salazar; Silvan Käser; Markus Meuwly (CoRR, 2024)

Asparagus: A Toolkit for Autonomous, User-Guided Construction of Machine-Learned Potential Energy Surfaces. - Kai Töpfer; Luis Itza Vazquez-Salazar; Markus Meuwly (CoRR, 2024)

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

Augmenting Chemical Databases for Atomistic Machine Learning by Sampling Conformational Space. - Luis Itza Vazquez-Salazar; Markus Meuwly (J. Chem. Inf. Model., 2025)