QuantumESPRESSO toward the exascale-Reference-Cited by-同舟云学术

QuantumESPRESSO toward the exascale

Published:2020-04-21 Issue:15 Volume:152 Page:154105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Giannozzi Paolo¹²³^ORCID,Baseggio Oscar⁴^ORCID,Bonfà Pietro⁵⁶^ORCID,Brunato Davide⁴,Car Roberto⁷^ORCID,Carnimeo Ivan⁴,Cavazzoni Carlo³⁸^ORCID,de Gironcoli Stefano²⁴^ORCID,Delugas Pietro³⁴^ORCID,Ferrari Ruffino Fabrizio²^ORCID,Ferretti Andrea⁶^ORCID,Marzari Nicola³⁹^ORCID,Timrov Iurii⁹^ORCID,Urru Andrea⁴^ORCID,Baroni Stefano²³⁴^ORCID

Affiliation:

1. Dipartimento di Scienze Matematiche, Informatiche e Fisiche, Università di Udine, via delle Scienze 206, I-33100 Udine, Italy, European Union

2. CNR-IOM, Istituto dell’Officina dei Materiali, SISSA, I-34136 Trieste, Italy, European Union

3. Quantum ESPRESSO Foundation, Cambridge Road Ind Estate, Milton, Cambridge CB24 6AZ, United Kingdom

4. SISSA – Scuola Internazionale Superiore di Studi Avanzati, via Bonomea 265, I-34136 Trieste, Italy, European Union

5. Dipartimento di Scienze Matematiche, Fisiche e Informatiche, Università di Parma, Parco Area delle Scienze 7/A, I-43124 Parma, Italy, European Union

6. Centro S3, CNR-Istituto Nanoscienze, via Campi 213/A, I-41125 Modena, Italy, European Union

7. Department of Chemistry, Princeton University, Princeton, New Jersey 08544, USA

8. CINECA, Via Magnanelli 6/3, I 40033 Casalecchio di Reno, Bologna, Italy, European Union

9. Theory and Simulation of Materials (THEOS), and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland

Funder

European Commission

National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0005082

Reference67 articles.

1. Green’s-function approach to linear response in solids

2. Ab initiocalculation of phonon dispersions in semiconductors