Minimal Basis Set Hartree-Fock Corrected with Atom-Centered Potentials for Molecular Crystal Modeling and Crystal Structure Prediction. - Emilian Tuca; Gino Dilabio; Alberto Otero-de-la-Roza (J. Chem. Inf. Model., 2022)

Bridging the gap between high-level quantum chemical methods and deep learning models. - Viki Kumar Prasad; Alberto Otero-de-la-Roza; Gino Dilabio (Mach. Learn. Sci. Technol., 2024)