269 citations · 1.4k across the 14 of their papers we have counts for
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physics.geo-ph1998★ 64 cited
Oxygen in the Earth's core: a first principles study
Dario Alfe`, G. David Price, Michael J. Gillan
First principles electronic structure calculations based on density functional theory have been used to study the thermodynamic, structural and transport properties of solid soluti…
cond-mat1998★ 93 cited
First principles simulations of liquid Fe-S under Earth's core conditions
Dario Alfe`, Michael J. Gillan
First principles electronic structure calculations, based upon density functional theory within the generalized gradient approximation and ultra-soft Vanderbilt pseudopotentials, h…