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Fast and accurate quantum Monte Carlo for molecular crystals

Computer simulation plays a central role in modern-day materials science. The utility of a given computational approach depends largely on the balance it provides between accuracy and computational cost. Molecular crystals are a class of materials of great technological importance which are challeng...

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Podrobná bibliografie
Vydáno v:Proc Natl Acad Sci U S A
Hlavní autoři: Zen, Andrea, Brandenburg, Jan Gerit, Klimeš, Jiří, Tkatchenko, Alexandre, Alfè, Dario, Michaelides, Angelos
Médium: Artigo
Jazyk:Inglês
Vydáno: National Academy of Sciences 2018
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC5828600/
https://ncbi.nlm.nih.gov/pubmed/29432177
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.1715434115
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