New method removes roadblock in crystal structure prediction, probes Earth's interior

Researchers from Skoltech, MIPT, and Dukhov Research Institute of Automatics have proposed a method that cuts all the right corners to spare computational costs and enable the prediction of material structures at any temperatures. The team reports its findings for the structure of iron in the inner core and magnesium silicate in the Earth’s lower mantle.


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Source: Phys.org