Items where Author is "Fisicaro, Giuseppe"

2020

Ratcliff, Laura E. and Dawson, William and Fisicaro, Giuseppe and Caliste, Damien and Mohr, Stephan and Degomme, Augustin and Videau, Brice and Cristiglio, Viviana and Stella, Martina and D'Alessandro, Marco and Goedecker, Stefan and Nakajima, Takahito and Deutsch, Thierry and Genovese, Luigi. (2020) Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations. Journal of Chemical Physics, 152 (19). p. 194110.

Fisicaro, Giuseppe and Filice, Simona and Scalese, Silvia and Compagnini, Giuseppe and Reitano, Riccardo and Genovese, Luigi and Goedecker, Stefan and Deretzis, Ioannis and La Magna, Antonino. (2020) Wet Environment Effects for Ethanol and Water Adsorption on Anatase TiO2 (101) Surfaces. Journal of Physical Chemistry C, 124 (4). pp. 2406-2419.

2019

Puglisi, Rosaria A. and Caccamo, Sebastiano and Bongiorno, Corrado and Fisicaro, Giuseppe and Genovese, Luigi and Goedecker, Stefan and Mannino, Giovanni and La Magna, Antonino. (2019) Direct observation of single organic molecules grafted on the surface of a silicon nanowire. Scientific reports, 9. p. 5647.

Andreussi, Oliviero and Hormann, Nicolas Georg and Nattino, Francesco and Fisicaro, Giuseppe and Goedecker, Stefan and Marzari, Nicola. (2019) Solvent-Aware Interfaces in Continuum Solvation. Journal of Chemical Theory and Computation, 15 (3). pp. 1996-2009.

2017

Fisicaro, Giuseppe and Genovese, Luigi and Andreussi, Oliviero and Mandal, Sagarmoy and Nair, Nisanth N. and Marzari, Nicola and Goedecker, Stefan. (2017) Soft-Sphere Continuum Solvation in Electronic-Structure Calculations. Journal of Chemical Theory and Computation, 13 (8). pp. 3829-3845.

Fisicaro, Giuseppe and Sicher, Michael and Amsler, Maximilian and Saha, Santanu and Genovese, Luigi and Goedecker, Stefan. (2017) Surface reconstruction of fluorites in vacuum and aqueous environment. Physical Review Materials, 1 (3). 033609.