Automated Fitting of Neural Network Potentials at Coupled Cluster Accuracy: Protonated Water Clusters as Testing Ground. - Christoph Schran; Jörg Behler; Dominik Marx (CoRR, 2019)

Committee neural network potentials control generalization errors and enable active learning. - Christoph Schran; Krystof Brezina; Ondrej Marsalek (CoRR, 2020)