X-ray diffraction analysis typically affords the static 3D structures of given compounds or materials, but to understand chemical processes, the visualization of fast structural changes is desirable.
The generation of plausible crystal structures is often the first step in predicting the structure and properties of a material from its chemical composition. However, most current methods for crystal ...
A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...