China's supercomputer breakthrough uses 37 million processor cores to model complex quantum chemistry at molecular scale — Sunway fuses AI and quantum science

Chinese scientists from Sunway have made a significant breakthrough by using an AI model and the Oceanlite supercomputer to model complex quantum chemistry at the molecular scale. They developed a neural network quantum states (NNQS) framework to approximate the wavefunction of molecules, achieving high efficiency and scalability. The experiment, conducted with 120 spin orbitals, marks the largest AI-driven quantum chemistry calculation on a classical supercomputer to date. The unique architecture of the Sunway SW26010-Pro CPU, with 37 million processor cores, enabled the successful simulation, showcasing a near-perfect synchronization between software and hardware. This achievement paves the way for advanced research in AI and quantum industries in China.