Publications of Marcel Florin Langer
All genres
Journal Article (3)
2023
Journal Article
159 (17), 174105 (2023)
Stress and heat flux via automatic differentiation. The Journal of Chemical Physics
Journal Article
108 (10), L100302 (2023)
Heat flux for semilocal machine-learning potentials. Physical Review B 2022
Journal Article
8, 41 (2022)
Representations of molecules and materials for interpolation of quantum-mechanical simulations via machine learning. npj Computational Materials Talk (2)
2022
Talk
Heat Flux for Machine Learning Potentials. NOMAD Meeting, Revealing New and Novel Materials, Mechanisms, and Insights (a Perspective), Potsdam, Germany (2022)
2019
Talk
Representing Molecules and Materials for Accurate Interpolation of Quantum-Mechanical Calculations. DPG Spring Meeting, Regensburg, Germany (2019)
Thesis - PhD (1)
2023
Thesis - PhD
Machine Learning for Atomistic Modeling: Representations and Thermal Transport. Dissertation, Technische Universität, Berlin (2023)