Improving the reliability of, and confidence in, DFT functional benchmarking through active learningJan 1, 2025·Javier E. Alfonso-Ramos,Carlo Adamo,Eric Bremond,Thijs Stuyver· 0 min read CiteTypeJournal articlePublicationJ. Chem. Theory Comput.Last updated on Jan 1, 2025 ← CYCLO70: A New Challenging Pericyclic Benchmarking Set for Kinetics and Thermochemistry Evaluation Jan 1, 2025Screening Diels-Alder reaction space to identify candidate reactions for self-healing polymer applications Jan 1, 2025 →