# Autonomous molecular design by Monte-Carlo tree search and rapid evaluations using molecular dynamics simulations

> Research article (Communications Physics, 2020) · cited 68× · AI/ML

**Wikidata**: [openalex:W3026536569](https://www.wikidata.org/wiki/openalex:W3026536569)  
**Source**: https://4ort.xyz/entity/autonomous-molecular-design-by-monte-carlo-tree-search-and-rapid-evaluations-using-molecular-dynamics-simulations