Title:	Computational screening for high-entrophy organic and organic-inorganic hybrid materials
DNr:	NAISS 2024/22-585
Project Type:	NAISS Small Compute
Principal Investigator:	Xinyi Cai <xinyi.cai@liu.se>
Affiliation:	Linköpings universitet
Duration:	2024-04-22 – 2025-05-01
Classification:	10403
Keywords:

Abstract

This proposal centers on the computational screening of organic and organic-inorganic hybrid materials capable of forming high-entropy composites. The elucidated design principles and identified material candidates hold significant importance for advancing research in organic and organic-inorganic hybrid semiconductor technologies. These advancements have far-reaching applications, including but not limited to light-emitting diodes, thermoelectric devices, radiation detection, and polarized light detection.