Francesco Aquilante
École Polytechnique Fédérale de Lausanne
H-index: 39
Europe-Switzerland
Top articles of Francesco Aquilante
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Accurate electronic properties and intercalation voltages of Li-ion cathode materials from extended Hubbard functionals | Bulletin of the American Physical Society | Iurii Timrov Francesco Aquilante Matteo Cococcioni Nicola Marzari | 2023/3/7 |
Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size | Journal of Chemical Theory and Computation | Juliana Cuéllar-Zuquin Ana Julieta Pepino Ignacio Fdez. Galván Ivan Rivalta Francesco Aquilante | 2023/10/26 |
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry | Journal of Chemical Theory and Computation | Giovanni Li Manni Ignacio Fdez. Galván Ali Alavi Flavia Aleotti Francesco Aquilante | 2023/5/22 |
A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates | Journal of Chemical Theory and Computation | Andy Kaiser Razan E Daoud Francesco Aquilante Oliver Kühn Luca De Vico | 2023/4/28 |
Erratum: Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds [Phys. Rev. B 102, 235159 (2020)] | Physical Review B | Iurii Timrov Francesco Aquilante Luca Binci Matteo Cococcioni Nicola Marzari | 2022/5/31 |
Accurate intercalation voltages for Li-ion cathodes from Hubbard-extended DFT | APS March Meeting Abstracts | Francesco Aquilante Iurii Timrov Nicola Marzari | 2021 |
Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds | Physical Review B | Iurii Timrov Francesco Aquilante Luca Binci Matteo Cococcioni Nicola Marzari | 2020/12/28 |
Modern quantum chemistry with [Open] Molcas | The Journal of Chemical Physics | Francesco Aquilante Jochen Autschbach Alberto Baiardi Stefano Battaglia Veniamin A Borin | 2020/6/7 |
Co-Authors
