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Advanced capabilities for materials modelling with Quantum ESPRESSO

Abstract:

Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudopotential and projector-augmented-wave approaches. Quantum EXPRESSO owes its popularity to the wide variety of properties and processes it allows to simulate, to its performance on an increasingl...

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Publication status:
Published
Peer review status:
Peer reviewed

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Files:
Publisher copy:
10.1088/1361-648x/aa8f79

Authors


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Funding agency for:
Giustino, F
Grant:
RL-2012-001
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Funding agency for:
Schlipf, M
Grant:
RL-2012-001
Publisher:
IOP Publishing Publisher's website
Journal:
Journal of Physics: Condensed Matter Journal website
Volume:
29
Issue:
46
Pages:
1-31
Publication date:
2017-10-24
Acceptance date:
2017-09-27
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
Pmid:
29064822
Source identifiers:
742478
Language:
English
Keywords:
Pubs id:
pubs:742478
UUID:
uuid:76e7262e-888e-4813-bf47-d7ebc4b663a4
Local pid:
pubs:742478
Deposit date:
2018-01-03

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