By properties I mean e.g. viscosity, diffusion coefficients, pair correlation functions. I am interested specially in finite temperatures above the melting point.
My former student, Prof. Luiz Eleno (you met him in the last TOFA) presented a work showing how to do this, did you remember?
I just found the abstract of the corresponding work in the TOFA proceedings. It really seems to be helpful in relation to my research interest. I will contact Prof.Luiz Heleno and ask about some details.
There is a lot of work in this area. For example:
de Wijs, Gilles A., et al. "The viscosity of liquid iron at the physical conditions of the Earth's core." Nature 392.6678 (1998): 805.
Vočadlo, Lidunka, et al. "First principles calculations on crystalline and liquid iron at Earth's core conditions." Faraday Discussions106 (1997): 205-218.
Vočadlo, L., et al. "The properties of iron under core conditions from first principles calculations." Physics of the Earth and Planetary Interiors 140.1 (2003): 101-125.
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