Andrea Grisafi
Andrea Grisafi
PhD student, EPFL
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Cited by
Cited by
Symmetry-adapted machine learning for tensorial properties of atomistic systems
A Grisafi, DM Wilkins, G Csányi, M Ceriotti
Physical review letters 120 (3), 036002, 2018
Transferable machine-learning model of the electron density
A Grisafi, A Fabrizio, B Meyer, DM Wilkins, C Corminboeuf, M Ceriotti
ACS central science 5 (1), 57-64, 2018
Accurate molecular polarizabilities with coupled cluster theory and machine learning
DM Wilkins, A Grisafi, Y Yang, KU Lao, RA DiStasio, M Ceriotti
Proceedings of the National Academy of Sciences 116 (9), 3401-3406, 2019
Electron density learning of non-covalent systems
A Fabrizio, A Grisafi, B Meyer, M Ceriotti, C Corminboeuf
Chemical science 10 (41), 9424-9432, 2019
Incorporating long-range physics in atomic-scale machine learning
A Grisafi, M Ceriotti
The Journal of chemical physics 151 (20), 204105, 2019
Solvent fluctuations and nuclear quantum effects modulate the molecular hyperpolarizability of water
C Liang, G Tocci, DM Wilkins, A Grisafi, S Roke, M Ceriotti
Physical Review B 96 (4), 041407, 2017
Using Gaussian process regression to simulate the vibrational Raman spectra of molecular crystals
N Raimbault, A Grisafi, M Ceriotti, M Rossi
New Journal of Physics 21 (10), 105001, 2019
Atomic-scale representation and statistical learning of tensorial properties
A Grisafi, DM Wilkins, MJ Willatt, M Ceriotti
Machine Learning in Chemistry: Data-Driven Algorithms, Learning Systems, and …, 2019
Learning (from) the Electron Density: Transferability, Conformational and Chemical Diversity
A Fabrizio, K Briling, A Grisafi, C Corminboeuf
CHIMIA International Journal for Chemistry 74 (4), 232-236, 2020
Quantum mechanical static dipole polarizabilities in the QM7b and AlphaML showcase databases
Y Yang, KU Lao, DM Wilkins, A Grisafi, M Ceriotti, RA DiStasio
Scientific data 6 (1), 1-10, 2019
Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals
C Amovilli, FM Floris, A Grisafi
Computation 4 (1), 10, 2016
Multi-scale approach for the prediction of atomic scale properties
A Grisafi, J Nigam, M Ceriotti
arXiv preprint arXiv:2008.12122, 2020
Solute-solvent interactions and solvation free energy: a density functional investigation
Physics-inspired structural representations for molecules and materials
F Musil, A Grisafi, AP Bartók, C Ortner, G Csányi, M Ceriotti
arXiv preprint arXiv:2101.04673, 0
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