Incorporation of local structure into kriging models for the prediction of atomistic properties in the water decamer. - Stuart J. Davie; Nicodemo Di Pasquale; Paul L. A. Popelier (J. Comput. Chem., 2016)

FEREBUS: Highly parallelized engine for kriging training. - Nicodemo Di Pasquale; Michael Bane; Stuart J. Davie; Paul L. A. Popelier (J. Comput. Chem., 2016)