OptiMate3B

Figshare 2026 Open access

Read full text
Authors: Malte Grunert, Max Großmann, Erich Runge
DOI: 10.6084/m9.figshare.30257629
Cited by: 0

Abstract

OptiMate3B is a three-body aware graph attention network for predicting the dielectric function of crystalline semiconductors and insulators, presented here as an easy-to-use application for both Windows and Linux-based operating systems. For further usage instructions, we refer to the Readme files contained in the respective archives.

Fields of Study & Subjects

Machine Learning in Materials Science Advanced Chemical Physics Studies 2D Materials and Applications

Publication details

Journal / source
Figshare
Publication date
1 January 2026