Improving the reliability of, and confidence in, DFT functional benchmarking through active learningJan 1, 2024·Javier E. Alfonso-Ramos,Carlo Adamo,Éric Brémond,Thijs Stuyver· 0 min read Cite DOI URLTypeManuscriptLast updated on Jan 1, 2024 ← Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties Jan 1, 2024Repurposing quantum chemical descriptor datasets for on-the-fly generation of informative reaction representations: application to hydrogen atom transfer reactions Jan 1, 2024 →