He Inclusion in Ice-like and Clathrate-like Frameworks: A Benchmark Quantum Chemistry Study of Guest-Host Interactions. - Raquel Yanes-Rodríguez; Daniel J. Arismendi-Arrieta; Rita Prosmiti (J. Chem. Inf. Model., 2020)

Reducing training data needs with minimal multilevel machine learning (M3L). - Stefan N. Heinen; Danish Khan; Guido Falk von Rudorff; Konstantin Karandashev; Daniel J. Arismendi-Arrieta; Alastair J. A Price; Surajit Nandi; Arghya Bhowmik; Kersti Hermansson; O. Anatole von Lilienfeld (Mach. Learn. Sci. Technol., 2024)

Calculated solvation and ionization energies for thousands of organic molecules relevant to battery design. - Jan Weinreich; Konstantin Karandashev; Daniel J. Arismendi-Arrieta; Kersti Hermansson; O. Anatole von Lilienfeld (Mach. Learn. Sci. Technol., 2025)