SpookyNet: Learning Force Fields with Electronic Degrees of Freedom and Nonlocal Effects. - Oliver T. Unke; Stefan Chmiela; Michael Gastegger; Kristof T. Schütt; Huziel E. Sauceda; Klaus-Robert Müller (CoRR, 2021)

BIGDML: Towards Exact Machine Learning Force Fields for Materials. - Huziel E. Sauceda; Luis E. Gálvez-González; Stefan Chmiela; Lauro Oliver Paz-Borbón; Klaus-Robert Müller; Alexandre Tkatchenko (CoRR, 2021)

Super-resolution in Molecular Dynamics Trajectory Reconstruction with Bi-Directional Neural Networks. - Ludwig Winkler; Klaus-Robert Müller; Huziel E. Sauceda (CoRR, 2022)

High-fidelity molecular dynamics trajectory reconstruction with bi-directional neural networks. - Ludwig Winkler; Klaus-Robert Müller; Huziel E. Sauceda (Mach. Learn. Sci. Technol., 2022)

Machine Learned Force Fields: Fundamentals, its reach, and challenges. - Carlos A. Vital; Román J. Armenta-Rico; Huziel E. Sauceda (CoRR, 2025)