POLARIS: perovskite optimization using LLM-assisted refinement and intelligent screening

Digital Discovery 2026 Open access

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Authors: Jordan M. Marshall, Sheryl L. Sanchez, Rushik Desai, Elham Foadian, Utkarsh Pratiush, Arun Mannodi-Kanakkithodi, Sergei V. Kalinin, Mahshid Ahmadi
DOI: 10.1039/d5dd00378d
Cited by: 2
References: 84

Abstract

LLM-assisted mining converts 200 studies on 2D halide perovskites into a spacer-cation dataset. GNN-GP models predict structural and optoelectronic targets with uncertainty, and clustering reveals chemical spacer families.

Fields of Study & Subjects

Perovskite Materials and Applications Machine Learning in Materials Science Inorganic Chemistry and Materials

Publication details

Journal / source
Digital Discovery
Publisher
Royal Society of Chemistry (RSC)
Volume
5
Issue
4
Pages
1765–1782
Publication date
1 January 2026
Language
EN