The ability to predict crystal structures is a key part of the design of new materials. New research shows that a mathematical algorithm can guarantee to predict the structure of any material just ...
José Flores-Livas at Sapienza University of Rome has developed a methodology to predict the properties of magnetic systems using ab initio methods. The motivation was to develop a computational ...
Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...
9don MSN
Machine learning workflow enables faster, more reliable organic crystal structure prediction
Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals and design of functional materials. In pharmaceuticals, crystal structures ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results
Feedback