Publications of Marcel Florin Langer

Langer, M.F., J.T. Frank and F. Knoop: Stress and heat flux via automatic differentiation. The Journal of Chemical Physics 159 (17), 174105 (2023).

Langer, M.F., F. Knoop, C. Carbogno, M. Scheffler and M. Rupp: Heat flux for semilocal machine-learning potentials. Physical Review B 108 (10), L100302 (2023).

Langer, M.F., A. Goeßmann and M. Rupp: Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning. npj Computational Materials 8, 41 (2022).

Langer, M.F.:

Langer, M.F.:

Langer, M.F.: Machine Learning for Atomistic Modeling: Representations and Thermal Transport. Technische Universität Berlin