A joint research team between the Center for Quantum Information and Quantum Biology (QIQB) at The University of Osaka and Fixstars Corporation has demonstrated one of the world’s largest classical simulations of iterative quantum phase estimation (IQPE) circuits for quantum chemistry on up to 1,024 GPUs, surpassing the previous 40-qubit limit. The result expands the scale of molecular systems available for the development and validation of quantum algorithms for future fault-tolerant quantum computers, supporting progress toward industrial applications in drug discovery and materials development.

The paper was presented at NVIDIA GTC 2026, held in San Jose, California, March 16–19, 2026.

Overcoming unresolved challenges in drug discovery and developing new materials to address climate change will require advanced quantum chemical calculations beyond the reach of current technology. Against this backdrop, fault-tolerant quantum computers (FTQC) are widely anticipated as a key enabling technology, making it increasingly important to develop and validate, ahead of their deployment, the quantum algorithms that will eventually run on such systems.