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 best when the ...
A new artificial intelligence model can predict how atoms arrange themselves in crystal structures. A new artificial intelligence model that can predict how atoms arrange themselves in crystal ...
Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials science. However, conventional methods are computationally intensive and ...
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