This research has been motivated by geophysics and materials physics. The objective of this research has been to advance materials theory and computations for high pressure and high temperature applications to the point that it can make a difference in our understanding of the Earth. Understanding of the mineralogy, composition, and thermal structure of the Earth evolves by close interaction of three fields: seismology, geodynamics, and mineral physics. Earth’s structure is imaged by seismology, which obtains body wave velocities and density throughout the Earth’s interior (Fig. 11). Interpretation of this data relies on knowledge of aggregate properties of...

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