Summary: INSTITUTE OF PHYSICS PUBLISHING REPORTS ON PROGRESS IN PHYSICS
Rep. Prog. Phys. 69 (2006) 2365­2441 doi:10.1088/0034-4885/69/8/R03
First-principles modelling of Earth and planetary
materials at high pressures and temperatures
M J Gillan1
, D Alf`e1,2
, J Brodholt2
, L Vocadlo2
and G D Price2
1
Department of Physics and Astronomy, University College London, Gower Street,
London WC1E 6BT, UK
2
Department of Earth Sciences, University College London, Gower Street, London WC1E
6BT, UK
Received 16 December 2005, in final form 11 April 2006
Published 25 July 2006
Online at stacks.iop.org/RoPP/69/2365
Abstract
Atomic-scale materials modelling based on first-principles quantum mechanics is playing an

Source: Alfè, Dario - Departments of Earth Sciences & Physics and Astronomy, University College London
Price, G. David - Department Earth Sciences, University College London
Voèadlo, Lidunka - Department Earth Sciences, University College London

Collections: Chemistry; Geosciences; Materials Science; Physics