Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning. - Marcel F. Langer; Alex Goeßmann; Matthias Rupp (CoRR, 2020)

Heat flux for semi-local machine-learning potentials. - Marcel F. Langer; Florian Knoop; Christian Carbogno; Matthias Scheffler; Matthias Rupp (CoRR, 2023)

Stress and heat flux via automatic differentiation. - Marcel F. Langer; J. Thorben Frank; Florian Knoop (CoRR, 2023)

Machine learning for atomistic modeling: representations and thermal transport (Maschinelles Lernen für atomistische Modellierung: Repräsentationen und Wärmetransport) - Marcel F. Langer (2023)

The dark side of the forces: assessing non-conservative force models for atomistic machine learning. - Filippo Bigi; Marcel F. Langer; Michele Ceriotti (CoRR, 2024)

Probing the effects of broken symmetries in machine learning. - Marcel F. Langer; Sergey N. Pozdnyakov; Michele Ceriotti (Mach. Learn. Sci. Technol., 2024)