# Generative AI for computational chemistry: A roadmap to predicting emergent phenomena

> Research article (Proceedings of the National Academy of Sciences, 2025) · cited 13× · AI/ML

**Wikidata**: [openalex:W4414857965](https://www.wikidata.org/wiki/openalex:W4414857965)  
**Source**: https://4ort.xyz/entity/generative-ai-for-computational-chemistry-a-roadmap-to-predicting-emergent-phenomena