Clemens Isert

Machine Learning-Assisted High-Donor-Number Electrolyte Additive Screening toward Construction of Dendrite-Free Aqueous Zinc-Ion Batteries

The design space of E(3)-equivariant atom-centred interatomic potentials

Machine Learning for Fast, Quantum Mechanics-Based Approximation of Drug Lipophilicity

QMugs, quantum mechanical properties of drug-like molecules