First principles
Rather than using experimental data and empirical parameters, this is a method that calculates physical properties from the basic laws of quantum mechanics that govern atoms and electrons.
Open-source package for Material Explorer
 Approximately 20 hours on a supercomputer
Using a 3,000-core Fujitsu PRIMEHPC FX10 supercomputer.
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Date: 14 January, 2014
City: Kawasaki, Japan
Company: Fujitsu Laboratories Ltd., , , , , , , , , , , , ,