Graph neural network-based multi-objective Bayesian optimization for enhanced screening of metal–organic frameworks with optimal separation performance

Journal of Materials Chemistry A 2026 Open access

Read full text
Authors: Lane E. Schultz, Nickolas Gantzler, N. Scott Bobbitt, Dorina F. Sava Gallis, Rémi Dingreville
DOI: 10.1039/d5ta09133k
Cited by: 6
References: 61

Abstract

Metal–organic frameworks (MOFs) are porous crystalline materials with applications in gas capture, drug delivery, and molecular separations.

Fields of Study & Subjects

Metal-Organic Frameworks: Synthesis and Applications Nanocluster Synthesis and Applications Machine Learning in Materials Science

Publication details

Journal / source
Journal of Materials Chemistry A
Publisher
Royal Society of Chemistry (RSC)
Volume
14
Issue
18
Pages
10836–10853
Publication date
1 January 2026
Language
EN