Researchers at The Hong Kong University of Science and Technology (HKUST) have achieved two major breakthroughs in interfacial polymerization, a key technique for preparing advanced functional materials. By integrating quantum mechanics with machine learning, the team has elucidated the mechanism by which water molecules facilitate reactions at the molecular level. At the same time, they have transformed microcapsule design from a traditional trial-and-error approach into a predictive science.

A new AI model has become so good at predicting how molecules evolve over time that, in the future, it could speed up the costly and time-consuming process of testing new drugs. In the long term, this technology could facilitate the development of medicines and new treatments, as promising drug candidates are able to be identified more quickly and with greater accuracy. The findings are being presented in a new Swedish study published in Science Advances.