K. Jakob, K. Reuter and J. Margraf: Universally Accurate or Specifically Inadequate? Stress-testing General Purpose Machine Learning Interatomic Potentials., in press.

MPG.PuRe

DOI

pre-print

Working Paper

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

MPG.PuRe

DOI

pre-print