Publications of A. Lewis

All genres

2023

Journal Article

Electronic-Structure Properties from Atom-Centered Predictions of the Electron Density

A. Grisafi, A. Lewis, M. Rossi, M. Ceriotti

Journal of Chemical Theory and Computation 19 (14), 4335–4780 (2023)

Journal Article

Predicting the electronic density response of condensed-phase systems to electric field perturbations

The Journal of Chemical Physics 159 (1), 014103 (2023)

2021

Journal Article

Learning Electron Densities in the Condensed Phase

A. Lewis, A. Grisafi, M. Ceriotti, M. Rossi

Journal of Chemical Theory and Computation 17 (11), 7203–7214 (2021)

2021

Other

Overcoming barriers in nuclear dynamics with first principles electronic structure methods

High Performance Computing and Data Science in the Max Planck Society (2021)