Publications of Johannes Margraf

Cui, M.: Density Functional Tight Binding Theory Informed Multi-fidelity Machine Learning. Dissertation, Humboldt-Universität zu, Berlin (2025)

Jakob, K.; Reuter, K.; Margraf, J.: Universally Accurate or Specifically Inadequate? Stress-testing General Purpose Machine Learning Interatomic Potentials. (2025)

Neumann, F.; Margraf, J.; Reuter, K.; Bruix, A.: Interplay between shape and composition in bimetallic nanoparticles revealed by an efficient optimal-exchange optimization algorithm. (2021)