684 citations · 2.5k across the 32 of their papers we have counts for
4 papers · 1 filter
Incipient Metals: Functional Materials with a Unique Bonding Mechanism
Matthias Wuttig, Volker L. Deringer, Xavier Gonze +2
While solid-state materials are commonly classified as covalent, ionic, or metallic, there are cases that defy these iconic bonding mechanisms. A prominent example is given by phas…
Gaussian approximation potential modeling of lithium intercalation in carbon nanostructures
So Fujikake, Volker L. Deringer, Tae Hoon Lee +3
We demonstrate how machine-learning based interatomic potentials can be used to model guest atoms in host structures. Specifically, we generate Gaussian approximation potential (GA…
Data-driven learning of total and local energies in elemental boron
Volker L. Deringer, Chris J. Pickard, Gábor Csányi
The allotropes of boron continue to challenge structural elucidation and solid-state theory. Here we use machine learning combined with random structure searching (RSS) algorithms…
Mapping the band structure of GeSbTe phase change alloys around the Fermi level
Jens Kellner, Gustav Bihlmayer, Marcus Liebmann +16
Phase change alloys are used for non-volatile random access memories exploiting the conductivity contrast between amorphous and metastable, crystalline phase. However, this contras…