FHI
The NOMAD Laboratory

Novel Materials Discovery at the FHI of the Max-Planck-Gesellschaft
and IRIS-Adlershof of the Humboldt-Universit├Ąt zu Berlin

Person

Marcel Langer

Langer

Member since 10/2017
Email: langer@fhi.mpg.de

RESEARCH TOPICS

METHODS

2023

Articles

  1. M. F. Langer, F. Knoop. C. Carbogno, M. Scheffler, and M. Rupp, 
    Heat flux for semi-local machine-learning potentials.
    Phys. Rev. B (Letter) 108, L100302 (2023); https://doi.org/10.1103/PhysRevB.108.L100302
    Download: pdf

  2. M. F. Langer, J. T. Frank, F. Knoop,
    Stress and heat flux via automatic differentiation.
    J. Chem. Phys. 159, 174105 (2023); https://doi.org/10.1063/5.0155760 
    Download: pdf

2022

Articles

  1. M. F. Langer, 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); https://doi.org/10.1038/s41524-022-00721-x
    Download: pdf

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