AI model uses molecular energy to predict the most stable atom arrangements

Whether a smartphone battery lasts longer or a new drug can be developed to treat incurable diseases depends on how stably the atoms constituting the material are bonded. The core of molecular design lies in finding how to arrange these countless atoms to form the most stable molecule. Until now, this process has been as difficult as finding the lowest valley in a massive mountain range, requiring immense time and costs. Researchers at KAIST have developed a new technology that uses artificial intelligence (AI) to solve this process quickly and accurately.