Faithful novel machine learning for predicting quantum properties

Abstract Machine learning (ML) has accelerated the process of materials classification, particularly with crystal graph neural network (CGNN) architectures. However, advanced deep networks have hitherto proved challenging to build and train for quantum materials classification and property predictio...

Full description

Saved in:
Bibliographic Details
Main Authors: Gavin Nop, Micah Mundy, Jonathan D. H. Smith, Durga Paudyal
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01655-w
Tags: Add Tag
No Tags, Be the first to tag this record!