Journal article
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...
Expand abstract
- Publication status:
- Published
- Peer review status:
- Peer reviewed
Actions
Access Document
- Files:
-
-
(Preview, Accepted manuscript, pdf, 2.5MB, Terms of use)
-
- Publisher copy:
- 10.1088/1361-648x/aa8f79
Authors
Funding
+ Leverhulme Trust
More from this funder
Funding agency for:
Giustino, F
Schlipf, M
Grant:
RL-2012-001
RL-2012-001
Bibliographic Details
- Publisher:
- IOP Publishing
- Journal:
- Journal of Physics: Condensed Matter More from this journal
- 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
Item Description
- Language:
-
English
- Keywords:
- Pubs id:
-
pubs:742478
- UUID:
-
uuid:76e7262e-888e-4813-bf47-d7ebc4b663a4
- Local pid:
-
pubs:742478
- Source identifiers:
-
742478
- Deposit date:
-
2018-01-03
Terms of use
- Copyright holder:
- © 2017 IOP Publishing Ltd
- Copyright date:
- 2017
- Notes:
- © 2017 IOP Publishing Ltd. This is the accepted manuscript version of the article. The final version is available online from IOP Publishing at: https://doi.org/10.1088/1361-648X/aa8f79. For the full funder list see the article at: 10.1088/1361-648x/aa8f79
Metrics
If you are the owner of this record, you can report an update to it here: Report update to this record