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Bartolomeo Civalleri on Muck Rack

Bartolomeo Civalleri

As seen in: Royal Society of Chemistry
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Articles

Challenges for large scale simulation: general discussion

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By Jan Gerit Brandenburg, Kieron Burke, Bartolomeo Civalleri, Daniel Cole
| Royal Society of Chemistry Verified
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Cost-effective composite methods for large scale solid-state calculations

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By Jan Gerit Brandenburg, Ian Bush, Bartolomeo Civalleri
| Royal Society of Chemistry Verified
Cost-effective composite methods for large scale solid-state calculations Following the development in recent years of progressively accurate approximations to the exchange-correlation functional, the use of density functional theory (DFT) methods to examine increasingly large and complex systems has grown, in particular for solids and other condensed mat- ter systems. However the cost of these calculations is high, often requiring the use of specialist HPC facilities.
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