Error control in first-principles modelling – DAY 1

00:00 - Intro
00:05 - Uncertainty quantification for atomic-scale machine learning Michele Ceriotti
56:58 - Testing the hell out of DFT codes with virtual oxides Stefaan Cottenier
1:38:45 - Prediction uncertainty validation for computational chemists Pascal PERNOT
2:20:05 - Uncertainty driven active learning of interatomic potentials for molecular dynamics BORIS KOZINSKY