Andrea Grisafi

Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems

Andrea Grisafi, David M. Wilkins, Gábor Cśanyi et al. · Physical Review Letters · 2018 · 308 citations · Full text

Transferable Machine-Learning Model of the Electron Density

Andrea Grisafi, Alberto Fabrizio, Benjamin Meyer et al. · ACS Central Science · 2018 · 262 citations · Full text

Electron Density, Molecular Solid, Engineering +15

Accurate molecular polarizabilities with coupled cluster theory and machine learning

David M. Wilkins, Andrea Grisafi, Yang Yang et al. · Proceedings of the National Academy of Sciences · 2019 · 207 citations · Full text

Hybrid Dft, Cluster Science, Engineering +14

Incorporating long-range physics in atomic-scale machine learning

Andrea Grisafi, Michele Ceriotti · The Journal of Chemical Physics · 2019 · 203 citations · Full text

Roadmap on Machine learning in electronic structure

Heather J. Kulik, Thomas Hammerschmidt, Jonathan Schmidt et al. · Electronic Structure · 2022 · 175 citations · Full text

Artificial Intelligence, Materials Science, Engineering +12