Structure relaxation is the optimization of the positions of atoms and the lattice geometry in the process of searching for the minimum of the potential energy and interatomic forces, which ...
A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has developed a new computational method that can efficiently determine the crystal structures of multiphase ...
X-ray diffraction (XRD) is one of the most widely used structural characterization techniques for inorganic crystalline materials. Since Bragg’s law was first proposed in 1912, X-ray crystallography ...
(Nanowerk News) For more than 100 years, scientists have been using X-ray crystallography to determine the structure of crystalline materials such as metals, rocks, and ceramics. This technique works ...
The new method can determine crystal structures underlying experimental data thus far difficult to analyze. A joint research team led by Yuuki Kubo and Shiji Tsuneyuki of the University of Tokyo has ...
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