Quantum ESPRESSO toward the exascale
Giannozzi, Paolo, Baseggio, Oscar, Bonfà, Pietro, Brunato, Davide, Car, Roberto, Carnimeo, Ivan, Cavazzoni, Carlo, de Gironcoli, Stefano, Delugas, Pietro, Ferrari Ruffino, Fabrizio, Ferretti, Andrea, Marzari, Nicola, Timrov, Iurii, Urru, Andrea, Baroni, Stefano
Published in The Journal of chemical physics (21.04.2020)
Published in The Journal of chemical physics (21.04.2020)
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Journal Article
Prediction of a native ferroelectric metal
Filippetti, Alessio, Fiorentini, Vincenzo, Ricci, Francesco, Delugas, Pietro, Íñiguez, Jorge
Published in Nature communications (04.04.2016)
Published in Nature communications (04.04.2016)
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Journal Article
Giant oscillating thermopower at oxide interfaces
Pallecchi, Ilaria, Telesio, Francesca, Li, Danfeng, Fête, Alexandre, Gariglio, Stefano, Triscone, Jean-Marc, Filippetti, Alessio, Delugas, Pietro, Fiorentini, Vincenzo, Marré, Daniele
Published in Nature communications (27.03.2015)
Published in Nature communications (27.03.2015)
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Journal Article
Competing Forces in the Self-Assembly of Coupled ZnO Nanopyramids
Javon, Elsa, Gaceur, Meriem, Dachraoui, Walid, Margeat, Olivier, Ackermann, Jörg, Saba, Maria Ilenia, Delugas, Pietro, Mattoni, Alessandro, Bals, Sara, Van Tendeloo, Gustaaf
Published in ACS nano (28.04.2015)
Published in ACS nano (28.04.2015)
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Journal Article
Radiative Recombination and Photoconversion of Methylammonium Lead Iodide Perovskite by First Principles: Properties of an Inorganic Semiconductor within a Hybrid Body
Filippetti, Alessio, Delugas, Pietro, Mattoni, Alessandro
Published in Journal of physical chemistry. C (30.10.2014)
Published in Journal of physical chemistry. C (30.10.2014)
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Journal Article
turboMagnon – A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
Gorni, Tommaso, Baseggio, Oscar, Delugas, Pietro, Baroni, Stefano, Timrov, Iurii
Published in Computer physics communications (01.11.2022)
Published in Computer physics communications (01.11.2022)
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Journal Article
Entropy-Suppressed Ferroelectricity in Hybrid Lead-Iodide Perovskites
Filippetti, Alessio, Delugas, Pietro, Saba, Maria Ilenia, Mattoni, Alessandro
Published in The journal of physical chemistry letters (17.12.2015)
Published in The journal of physical chemistry letters (17.12.2015)
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Journal Article
Quantum ESPRESSO: One Further Step toward the Exascale
Carnimeo, Ivan, Affinito, Fabio, Baroni, Stefano, Baseggio, Oscar, Bellentani, Laura, Bertossa, Riccardo, Delugas, Pietro Davide, Ruffino, Fabrizio Ferrari, Orlandini, Sergio, Spiga, Filippo, Giannozzi, Paolo
Published in Journal of chemical theory and computation (24.10.2023)
Published in Journal of chemical theory and computation (24.10.2023)
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Journal Article
Advanced capabilities for materials modelling with Quantum ESPRESSO
Giannozzi, P, Andreussi, O, Brumme, T, Bunau, O, Buongiorno Nardelli, M, Calandra, M, Car, R, Cavazzoni, C, Ceresoli, D, Cococcioni, M, Colonna, N, Carnimeo, I, Dal Corso, A, de Gironcoli, S, Delugas, P, DiStasio, R A, Ferretti, A, Floris, A, Fratesi, G, Fugallo, G, Gebauer, R, Gerstmann, U, Giustino, F, Gorni, T, Jia, J, Kawamura, M, Ko, H-Y, Kokalj, A, Küçükbenli, E, Lazzeri, M, Marsili, M, Marzari, N, Mauri, F, Nguyen, N L, Nguyen, H-V, Otero-de-la-Roza, A, Paulatto, L, Poncé, S, Rocca, D, Sabatini, R, Santra, B, Schlipf, M, Seitsonen, A P, Smogunov, A, Timrov, I, Thonhauser, T, Umari, P, Vast, N, Wu, X, Baroni, S
Published in Journal of physics. Condensed matter (22.11.2017)
Published in Journal of physics. Condensed matter (22.11.2017)
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Journal Article
Quantum ESPRESSO towards performance portability: GPU offload with OpenMP
Ruffino, Fabrizio Ferrari, Bellentani, Laura, Rossi, Giacomo, Affinito, Fabio, Baroni, Stefano, Baseggio, Oscar, Delugas, Pietro, Giannozzi, Paolo, Kurzak, Jakub, Luo, Ye, O'Reilly, Ossian, Orlandini, Sergio, Carnimeo, Ivan
Published in Procedia computer science (2024)
Published in Procedia computer science (2024)
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Journal Article
Roadmap on electronic structure codes in the exascale era
Gavini, Vikram, Baroni, Stefano, Blum, Volker, Bowler, David R, Buccheri, Alexander, Chelikowsky, James R, Das, Sambit, Dawson, William, Delugas, Pietro, Dogan, Mehmet, Draxl, Claudia, Galli, Giulia, Genovese, Luigi, Giannozzi, Paolo, Giantomassi, Matteo, Gonze, Xavier, Govoni, Marco, Gygi, François, Gulans, Andris, Herbert, John M, Kokott, Sebastian, Kühne, Thomas D, Liou, Kai-Hsin, Miyazaki, Tsuyoshi, Motamarri, Phani, Nakata, Ayako, Pask, John E, Plessl, Christian, Ratcliff, Laura E, Richard, Ryan M, Rossi, Mariana, Schade, Robert, Scheffler, Matthias, Schütt, Ole, Suryanarayana, Phanish, Torrent, Marc, Truflandier, Lionel, Windus, Theresa L, Xu, Qimen, Yu, Victor W-Z, Perez, D
Published in Modelling and simulation in materials science and engineering (01.09.2023)
Published in Modelling and simulation in materials science and engineering (01.09.2023)
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Journal Article
Dielectric properties of high-kappa oxides: theory and experiment for Lu2O3
Bonera, Emiliano, Scarel, Giovanna, Fanciulli, Marco, Delugas, Pietro, Fiorentini, Vincenzo
Published in Physical review letters (21.01.2005)
Published in Physical review letters (21.01.2005)
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Journal Article
First-principles study of the gap in the spin excitation spectrum of the CrI$_3$ honeycomb ferromagnet
Gorni, Tommaso, Baseggio, Oscar, Delugas, Pietro, Timrov, Iurii, Baroni, Stefano
Year of Publication 19.12.2022
Year of Publication 19.12.2022
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Journal Article
turboMagnon -- A code for the simulation of spin-wave spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
Gorni, Tommaso, Baseggio, Oscar, Delugas, Pietro, Baroni, Stefano, Timrov, Iurii
Published in arXiv.org (30.08.2022)
Published in arXiv.org (30.08.2022)
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Paper
Journal Article
Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI$_3$ two-dimensional magnets
Delugas, Pietro, Baseggio, Oscar, Timrov, Iurii, Baroni, Stefano, Gorni, Tommaso
Year of Publication 10.05.2021
Year of Publication 10.05.2021
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Journal Article