# The use of machine learning, density functional theory, and molecular dynamics simulations for the designing and screening of efficient small molecule donors for organic solar cells

> Research article (International Journal of Quantum Chemistry, 2022) · cited 15× · AI/ML

**Wikidata**: [openalex:W4291184652](https://www.wikidata.org/wiki/openalex:W4291184652)  
**Source**: https://4ort.xyz/entity/the-use-of-machine-learning-density-functional-theory-and-molecular-dynamics-simulations-for-the-designing-and-screening