Essays about: "MLIP"

Found 1 essay containing the word MLIP.

  1. 1. Active learning of interatomic potentials to investigate thermodynamic and elastic properties of Ti0.5Al0.5N at elevated temperature

    University essay from Linköpings universitet/Teoretisk Fysik

    Author : Florian Bock; [2021]
    Keywords : Thin Solid Films; TiAlN; Active Learning; MLIP;

    Abstract : With the immense increase in the computational power available for the material science community in recent years, a range of new discoveries were made possible. Accurate investigations of large scale atomic systems, however, still come with an extremely high computational demand. READ MORE