Machine learning on multiple topological materials datasets

Abstract A dataset of 35,608 materials with their topological properties is constructed by combining the density functional theory (DFT) results of Materiae and the Topological Materials Database. Thanks to this, machine-learning approaches are developed to categorize materials into five distinct to...

Full description

Saved in:
Bibliographic Details
Main Authors: Yuqing He, Pierre-Paul De Breuck, Hongming Weng, Matteo Giantomassi, Gian-Marco Rignanese
Format: Article
Language:English
Published: Nature Portfolio 2025-06-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01687-2
Tags: Add Tag
No Tags, Be the first to tag this record!