Yusuf Hamied Department of Chemistry

Domantas Kuryla

Publications

How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets
D Kuryla, F Berger, G Csányi, A Michaelides
J Chem Phys
(2025)
163
(doi: 10.1063/5.0296997)
Efficient exploration of reaction pathways using reaction databases and active learning.
D Kuryla, G Csányi, ACT van Duin, A Michaelides
The Journal of Chemical Physics
(2025)
162
(doi: 10.1063/5.0235715)

Research Groups

Telephone number

01223 336350 (shared)

Email address

dk584@cam.ac.uk

College

Christ's College
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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