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cond-mat.supr-con2006
Graphite intercalation compounds under pressure
Gabor Csanyi, Chris J. Pickard, B. D. Simons +1
Motivated by recent experimental work, we use first-principles density functional theory methods to conduct an extensive search for low enthalpy structures of CCa under pressur…
cond-mat.mtrl-sci2006★ 739 cited
High-pressure phases of silane
Chris J. Pickard, R. J. Needs
It has been suggested that hydrogen may metallise at lower pressures if it is ``precompressed''. Here we introduce a search strategy for predicting high-pressure structures and app…