Publications of Marcel Florin Langer

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

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

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

Langer, M. F.: Heat Flux for Machine Learning Potentials. NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany (2022)

Langer, M. F.: Representing Molecules and Materials for Accurate Interpolation of Quantum-Mechanical Calculations. DPG Spring Meeting, Regensburg, Germany (2019)

Langer, M. F.: Machine Learning for Atomistic Modeling: Representations and Thermal Transport. Dissertation, Technische Universität, Berlin (2023)