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

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

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

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 ...

The study, with Postdoctoral Researcher Seongmin Kim as the first author, was published in two chemistry ... inorganic crystal material datasets in a text-based format. The model was then trained ...

This allowed us to understand how the arrangement of molecules in our flexible crystal changes when it’s bent. We then used a computer to model the interactions between pairs of molecules.

Students will be able to develop and explain a particle-level model to describe their observations of water dissolving salt, the water evaporating, and the salt crystals re-forming. Dissolving a solid ...