High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning. - Oliver T. Unke; Debasish Koner; Sarbani Patra; Silvan Käser; Markus Meuwly (Mach. Learn. Sci. Technol., 2020)

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

The Bigger the Better? Accurate Molecular Potential Energy Surfaces from Minimalist Neural Networks. - Silvan Käser; Debasish Koner; Markus Meuwly (CoRR, 2024)