Polymorphs are not mythical, chimeric beasts—they are substances with identical chemical compositions but differing crystal ...

Researchers explored a colloidal crystal model to produce specific polymorphs, required for use in materials science and pharmaceuticals.

A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine ...

As the clouds clear on computational crystal structure prediction, is the technique ready to empower mainstream materials ...

Their model is based on molecular dynamics ... successfully reproducing the unique crystal structures of carbon (graphite and ...

The model was then trained to classify the synthesizability ... This breakthrough opens the door to analyzing why certain hypothetical crystal structures are difficult to synthesize and ...

TCR-peptide–MHC (pMHC) class I complexes for which crystal structures have been determined (mouse 2, 2C–dEV8–H-2K b, human 3,4: A6–Tax–HLA-A2 and B7–Tax–HLA-A2) indicate a common ...

The model gives a three dimensional map of part of one of the crystal salts of penicillin. The contours are lines of electron density and show the positions of individual atoms in the structure.

Polymorphs are not mythical, chimeric beasts - they are substances with identical chemical compositions but differing crystal ...

Development of ShotgunCSP: a crystal structure prediction algorithm combining machine learning and first-principles calculations.Achieved world-leading performance in crystal structure prediction ...