Equivariant graph neural network interatomic potential for Green-Kubo thermal conductivity in phase change materials
Work
Year: 2024
Type: article
Abstract: Thermal conductivity is a fundamental material property that plays an essential role in technology, but its accurate evaluation presents a challenge for theory. In this work, we demonstrate the applic... more
Source: Physical Review Materials
Institutions CEA LETI, Commissariat à l'Énergie Atomique et aux Énergies Alternatives, Université Grenoble Alpes, Centre National de la Recherche Scientifique, Institut Néel
Cites: 59
Cited by: 1
Related to: 10
FWCI: 0.514
Citation percentile (by year/subfield): 63.15
Subfield: Materials Chemistry
Field: Materials Science
Domain: Physical Sciences
Open Access status: green
Grant IDS ECSEL-IA 101007321, 2022-A0110911995