Takahito Nakajima

Data and scripts for "Δ-HGPR: A Hierarchical Gaussian Process Framework for Active-Learning Δ-Potentials"

Data and scripts underlying "Δ-HGPR: A Hierarchical Gaussian Process Framework for Active-Learning Δ-Potentials" (T. Nakajima, submitted to J. Chem. Theory Comput.). This version corresponds to the revised manuscript and supersedes version 1. The archive contains the inputs, labeled data, trained difference potentials,...