A
Andrea Urru
Researcher at International School for Advanced Studies
Publications - 18
Citations - 970
Andrea Urru is an academic researcher from International School for Advanced Studies. The author has contributed to research in topics: Magnetization & Computer science. The author has an hindex of 3, co-authored 10 publications receiving 208 citations. Previous affiliations of Andrea Urru include European Union & University of Cagliari.
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Quantum ESPRESSO toward the exascale.
Paolo Giannozzi,Oscar Baseggio,Pietro Bonfà,Davide Brunato,Roberto Car,Ivan Carnimeo,Carlo Cavazzoni,Stefano de Gironcoli,Pietro Delugas,Fabrizio Ferrari Ruffino,Andrea Ferretti,Nicola Marzari,Iurii Timrov,Andrea Urru,Stefano Baroni +14 more
TL;DR: A motivation and brief review of the ongoing effort to port Quantum ESPRESSO onto heterogeneous architectures based on hardware accelerators, which will overcome the energy constraints that are currently hindering the way toward exascale computing are presented.
Journal ArticleDOI
Quantum ESPRESSO toward the exascale.
Paolo Giannozzi,Oscar Baseggio,Pietro Bonfà,Davide Brunato,Roberto Car,Ivan Carnimeo,Carlo Cavazzoni,Stefano de Gironcoli,Pietro Delugas,Fabrizio Ferrari Ruffino,Andrea Ferretti,Nicola Marzari,Iurii Timrov,Andrea Urru,Stefano Baroni +14 more
TL;DR: Quantum ESPRESSO as mentioned in this paper is an open-source distribution of computer codes for quantum-mechanical materials modeling, based on density-functional theory, pseudopotentials, and plane waves.
Journal ArticleDOI
Viewpoint: Atomic-Scale Design Protocols toward Energy, Electronic, Catalysis, and Sensing Applications
Florian Belviso,Victor E. P. Claerbout,Aleix Comas-Vives,Naresh S. Dalal,Feng Ren Fan,Alessio Filippetti,Vincenzo Fiorentini,Lucas Foppa,Cesare Franchini,Cesare Franchini,Benjamin Geisler,Luca M. Ghiringhelli,Axel Groß,Shunbo Hu,Jorge Íñiguez,Steven K. Kauwe,Janice L. Musfeldt,Paolo Nicolini,Rossitza Pentcheva,Tomas Polcar,Wei Ren,Fabio Ricci,Francesco Ricci,H.S. Sen,Jonathan M. Skelton,Taylor D. Sparks,Alessandro Stroppa,Andrea Urru,Matthias Vandichel,Matthias Vandichel,Paolo Vavassori,Hua Wu,Ke Yang,Hong Jian Zhao,Danilo Puggioni,Remedios Cortese,Antonio Cammarata +36 more
TL;DR: The objective of this Viewpoint is to examine the state of the art of atomic-scale simulative and experimental protocols aimed to the design of novel functional nanostructured materials, and to present new perspectives in the relative fields.
Journal ArticleDOI
Density functional perturbation theory for lattice dynamics with fully relativistic ultrasoft pseudopotentials: The magnetic case
Andrea Urru,Andrea Dal Corso +1 more
TL;DR: In this paper, the authors extend density functional perturbation theory for lattice dynamics with fully relativistic ultrasoft pseudopotentials to magnetic materials, based on the application of the time-reversal operator to the Sternheimer linear system and to its selfconsistent solutions.
Journal ArticleDOI
Spin-polarized electronic surface states of Re(0001): An ab-initio investigation
Andrea Urru,Andrea Dal Corso +1 more
TL;DR: In this article, the electronic structure of the Re(0001) surface was studied by means of ab-initio techniques based on the Fully Relativistic (FR) Density Functional Theory (DFT) and the Projector Augmented-Wave (PAW) method.