Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (10 1¯0). - Matti Hellström; Daniel Spångberg; Kersti Hermansson (J. Comput. Chem., 2015)

PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials. - Yunqi Shao; Matti Hellström; Pavlin D. Mitev; Lisanne Knijff; Chao Zhang 067 (J. Chem. Inf. Model., 2020)

ParAMS: Parameter Optimization for Atomistic and Molecular Simulations. - Leonid Komissarov; Robert Rüger; Matti Hellström; Toon Verstraelen (J. Chem. Inf. Model., 2021)