“脆硬”材料可“随心所欲”弯折

Core Insights - The research team at Tianjin University has developed an intelligent computing platform that enables the design of flexible crystal materials, overcoming previous industry challenges related to directional design [1][2] - The platform integrates graph attention neural networks with crystal engineering technology, allowing for precise predictions of mechanical properties such as elasticity, plasticity, and brittleness, achieving an accuracy rate of 90% [1] - This innovation significantly reduces the material selection process from months to just one day, enabling the rapid generation of hundreds of candidate molecular libraries [1] Group 1 - The platform can visually identify key atoms and functional groups in molecular structures that affect performance, providing clear targets for scientists to modify [2] - In practical applications, the team successfully enhanced the tensile strength of the anti-epileptic drug Gabapentin by 8.5 times, addressing the fragility issue of the original tablet formulation [2] - The platform has also transformed brittle luminescent crystals into flexible materials that respond to light, facilitating advancements in light-driven devices and soft robotics [2] Group 2 - The platform is now open-source globally, allowing researchers without programming skills to easily obtain property predictions and visualizations by simply pasting or drawing molecular structures [2] - This marks the entry of flexible crystal research into the "AI customization" era, which is expected to accelerate applications in high-end manufacturing and public health sectors [2]