Large language models are powering a new generation of AI agents that could transform computational chemistry from a ...

Understanding the chemical properties of a molecule is an inherently quantum problem, making quantum computers a good tool ...

When researchers at Google announced last fall that they had achieved “quantum superiority”—a point at which a quantum computer can perform a task beyond the reach of regular computers—some people ...

Kyulux Inc. used materials informatics (1) that combines quantum chemistry calculations and machine learning and succeeded in achieving higher efficiency and longer lifetime for unique OLED technology ...