Andrea Grisafi

Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals

Claudio Amovilli, Franca Maria Floris, Andrea Grisafi, 2016, Comput..

Multi-scale approach for the prediction of atomic scale properties

Andrea Grisafi, Michele Ceriotti, Jigyasa Nigam, 2020, Chemical science.

Atomic-Scale Representation and Statistical Learning of Tensorial Properties

Andrea Grisafi, Michele Ceriotti, David M. Wilkins, 2019, ACS Symposium Series.

Symmetry-Adapted Machine Learning for Tensorial Properties of Atomistic Systems.

Andrea Grisafi, Michele Ceriotti, Gábor Csányi, 2017, Physical review letters.

Using Gaussian process regression to simulate the vibrational Raman spectra of molecular crystals

Andrea Grisafi, Michele Ceriotti, Mariana Rossi, 2019, New Journal of Physics.

Electron density learning of non-covalent systems

Alberto Fabrizio, Andrea Grisafi, Michele Ceriotti, 2019, Chemical science.

Transferable Machine-Learning Model of the Electron Density

Alberto Fabrizio, Andrea Grisafi, Michele Ceriotti, 2018, ACS central science.

Incorporating long-range physics in atomic-scale machine learning.

Andrea Grisafi, Michele Ceriotti, 2019, The Journal of chemical physics.

Accurate molecular polarizabilities with coupled cluster theory and machine learning

Yang Yang, Andrea Grisafi, Michele Ceriotti, 2018, Proceedings of the National Academy of Sciences.