activity
19952013
most citedTowards a Linear-Scaling DFT Technique: The Density Matrix Approach

145 citations · 607 across the 13 of their papers we have counts for

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Showing 2008Show all

2 papers · 1 filter

cond-mat.mtrl-sci2008★ 36 cited

Comment on 'Molybdenum at High Pressure and Temperature: Melting from Another Solid Phase'

C. Cazorla, D. Alfè, M. J. Gillan

There has been a major controversy over the past seven years about the high-pressure melting curves of transition metals. Static compression (diamond-anvil cell: DAC) experiments u…

cond-mat.mtrl-sci2008★ 36 cited

Zero-temperature generalized phase diagram of the 4d transition metals under pressure

C. Cazorla, D. Alf`e, M. J. Gillan

We use an accurate implementation of density functional theory (DFT) to calculate the zero-temperature generalized phase diagram of the 4 series of transition metals from Y to P…