Publications of Johannes Margraf

All genres

Thesis - PhD (1)

2025

Thesis - PhD

Cui, Mengnan: Density Functional Tight Binding Theory Informed Multi-fidelity Machine Learning.

MPG.PuRe

DOI

Full

Working Paper (2)

2025

Working Paper

Jakob, Konstantin, Karsten Reuter and Johannes Margraf: Universally Accurate or Specifically Inadequate? Stress-testing General Purpose Machine Learning Interatomic Potentials.

MPG.PuRe

DOI

pre-print

2021

Working Paper

Neumann, Felix, Johannes Margraf, Karsten Reuter and Albert Bruix: Interplay between shape and composition in bimetallic nanoparticles revealed by an efficient optimal-exchange optimization algorithm.

MPG.PuRe

DOI

pre-print