Some of the research fronts pursued in our group

Publications of A. Lewis

Journal Article (3)

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)
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Journal Article
Predicting the electronic density response of condensed-phase systems to electric field perturbations
A. Lewis, P. Lazzaroni, M. Rossi
The Journal of Chemical Physics 159 (1), 014103 (2023)
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DOI
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ZIP
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)
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DOI
supplementary-material
publisher-version

Other (1)

2021
Other
Overcoming barriers in nuclear dynamics with first principles electronic structure methods
M. Rossi, A. Akkoush, K. Fidanyan, M. Krynski, A. Lewis, Y. Litman, D. Maksimov, E. S. Pós, N. Raimbault, H. Wang
High Performance Computing and Data Science in the Max Planck Society (2021)
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