Fig. 6: Speed-ups when using the ridge-regression model to predict screening parameters.
From: Predicting electronic screening for fast Koopmans spectral functional calculations
The timings show the speed-up depending on the total number of snapshots for which Koopmans functional calculations must be performed, assuming three snapshots are required for training, and the remaining snapshots use the ridge-regression model to predict the screening parameters. All calculations were performed on an Intel Xeon Gold 6248R machine with 48 cores.
