Publications
2 shownHow accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets
Training of general-purpose machine learning interatomic potentials (MLIPs) relies on large datasets with properties usually computed with density functional theory (DFT). A pre...
Frequent Co-Authors
Researcher Info
- h-index
- 1
- Publications
- 2
- Citations
- 1,165
- Institution
- University of Cambridge
External Links
Identifiers
- ORCID
- 0000-0002-9169-169X
Impact Metrics
h-index
1
h-index: Number of publications with at least h citations each.