Phase diagram map of ferroelectric properties unlocked with AI in seconds

Researchers from the Hong Kong University of Science and Technology (HKUST) and Tongji University have developed FerroAI, a ...

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 ...
Nature

Toward high-resolution computational design of the structure and function of helical membrane proteins

The fields of protein-structure prediction and protein design started after the elucidation of the principles that govern protein folding. After all, the ability to predict structure ab initio ...
Princeton University

Using biomimetic polymers to understand and control sequence/structure/function relationships and achieve rational design of biomineralization

Peptoids, or n-substitued glycines, are complex and diverse oligomeric structures which have been explored for a number of biomimetic applications including drug delivery, surfactants, and catalysts.