Ab initio study of the high-temperature phase transition in crystalline GeO2. - Volker L. Deringer; Marck Lumeij; Ralf P. Stoffel; Richard Dronskowski (J. Comput. Chem., 2013)

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids. - Stefan Maintz; Volker L. Deringer; Andreì L. Tchougréeff; Richard Dronskowski (J. Comput. Chem., 2013)

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT. - Stefan Maintz; Volker L. Deringer; Andreì L. Tchougréeff; Richard Dronskowski (J. Comput. Chem., 2016)

LOBSTER : Local orbital projections, atomic charges, and chemical-bonding analysis from projector-augmented-wave-based density-functional theory. - Ryky Nelson; Christina Ertural; Janine George; Volker L. Deringer; Geoffroy Hautier; Richard Dronskowski (J. Comput. Chem., 2020)

Synthetic data enable experiments in atomistic machine learning. - John L. A. Gardner; Zoé Faure Beaulieu; Volker L. Deringer (CoRR, 2022)

Synthetic pre-training for neural-network interatomic potentials. - John L. A. Gardner; Kathryn T. Baker; Volker L. Deringer (Mach. Learn. Sci. Technol., 2024)

Data as the next challenge in atomistic machine learning. - Chiheb Ben Mahmoud; John L. A. Gardner; Volker L. Deringer (Nat. Comput. Sci., 2024)