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dc.contributor | Barcelona Supercomputing Center |
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dc.contributor.author | Ratcliff, Laura E. |
dc.contributor.author | Mohr, Stephan |
dc.contributor.author | Huhs, Georg |
dc.contributor.author | Deutsch, Thierry |
dc.contributor.author | Masella, Michel |
dc.contributor.author | Genovese, Luigi |
dc.date | 2017-02 |
dc.identifier.citation | Ratcliff, Laura E. [et al.]. Challenges in large scale quantum mechanical calculations. "Wiley Interdisciplinary Reviews: Computational Molecular Science", 7 Novembre 2016. |
dc.identifier.citation | 1759-0876 |
dc.identifier.citation | 10.1002/wcms.1290 |
dc.identifier.uri | http://hdl.handle.net/2117/96469 |
dc.language.iso | eng |
dc.publisher | Wiley |
dc.relation | http://onlinelibrary.wiley.com/doi/10.1002/wcms.1290/abstract |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/646176/EU/EXTended Model of Organic Semiconductors/EXTMOS |
dc.rights | info:eu-repo/semantics/openAccess |
dc.subject | Àrees temàtiques de la UPC::Enginyeria mecànica |
dc.subject | Large scale systems |
dc.subject | Mathematical modeling and computation |
dc.subject | Computer simulation |
dc.subject | Quantum Mechanical (QM) |
dc.subject | Atoms |
dc.subject | Density Functional Theory (DFT) |
dc.subject | Simulació per ordinador |
dc.subject | Supercomputadors |
dc.title | Challenges in large scale quantum mechanical calculations |
dc.type | info:eu-repo/semantics/submittedVersion |
dc.type | info:eu-repo/semantics/article |
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