Publications
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets
J Chem Phys
(2025)
163
224313
(doi: 10.1063/5.0296997)
Efficient exploration of reaction pathways using reaction databases and active learning.
The Journal of chemical physics
(2025)
162
114122
(doi: 10.1063/5.0235715)
