269 citations · 1.4k across the 14 of their papers we have counts for
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cond-mat1999★ 269 cited
Structure and Dynamics of Liquid Iron under Earth's Core Conditions
D. Alfe`, G. Kresse, M. J. Gillan
First-principles molecular dynamics simulations based on density-functional theory and the projector augmented wave (PAW) technique have been used to study the structural and dynam…
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…