Work

A high throughput virtual screening approach for identifying new thermally activated delayed fluorescence-based emitters

Year: 2025

Type: article

Abstract: We present a high throughput virtual screening workflow for discovering new TADF-based OLED emitters, applying random mutations to existing parent emitters and filtering for simple structural features through to quantum chemical calculation outputs.

Source: Journal of Materials Chemistry C

DOI: 10.1039/d5tc01938a

Authors: Kritam Thapa, Jennifer I. Jones, Laura E. Ratcliff

Institutions: Imperial College London, University of Bristol, UiT The Arctic University of Norway

Language: English

Topic: Organic Light-Emitting Diodes Research

Subfield: Electrical and Electronic Engineering

Field: Engineering

Domain: Physical Sciences

Open Access status: hybrid

Funder: Engineering and Physical Sciences Research Council

Awards: Multi-Scale Framework for Quantum Mechanical Simulations of Organic Electronics, The UK Car-Parrinello HEC Consortium, G5593870679