Researchers at the New Jersey Institute of Technology (NJIT), led by Professor Dibakar Datta, have made a breakthrough in materials science using AI. Employing a dual generative AI system, they significantly accelerated the search for new materials for multivalent ion batteries (based on Mg, Ca, Al, Zn), which could become a cheaper and safer replacement for lithium-ion counterparts. One part of the AI generated thousands of potential porous crystal structures, while the second part quickly evaluated their stability and ionic conductivity. This "in silico" approach allowed them to select the 5 most promising candidates for laboratory synthesis in a short time, a process that would have previously taken years. This work is a prime example of the "AI for Science" trend.
AI System at NJIT Discovers 5 New Materials for Post-Lithium Batteries
