Pressure has long been recognized as a fundamental thermodynamic variable but its
application was previously limited by the available pressure vessels and probes. The …

The thermal conductivities of materials are extremely important for many practical
applications, such as in understanding the thermal balance and history of the Earth, energy …

We complete the development and description of a thermodynamic method for the
computation of phase equilibria and physical properties of multiphase mantle assemblages …

We present a theory for the computation of phase equilibria and physical properties of
multicomponent assemblages relevant to the mantle of the Earth. The theory differs from …

For the treatment of strongly correlated electrons, the corresponding Hartree-Fock exchange
energy is used instead of the local density approximation (LDA) or generalized gradient …

In this section the contribution of CPO to seismic anisotropy in the deep Earth with cases of
olivine and the role of melt is illustrated. The CPO in rocks of upper-mantle origin is now well …

We have critically reviewed and discussed currently available information regarding the spin
and valence states of iron in lower mantle minerals and the associated effects of the spin …

The determination of the chemical composition of Earth's lower mantle is a long-standing
challenge in earth science. Accurate knowledge of sound velocities in the lower-mantle …

We present the results of Kohn-Sham calculations on molecules, surfaces, and solids which
were obtained using a recently proposed exchange-correlation energy functional [Z. Wu and …

Iron is the most abundant transition-metal element in the mantle and therefore plays an
important role in the geochemistry and geodynamics of the Earth's interior,,,,,,,,,,. Pressure …