Quemix and Honda R&D have successfully developed the world's first new quantum algorithm that exponentially accelerates DFT calculations using quantum computers. In this initiative, they developed a new quantum algorithm that bypasses the Gram-Schmidt orthogonalization process and established a method to calculate the total DFT energy directly from the sampling results of a Quantum Phase Estimation (QPE) circuit, without the need to read out electron density. This achievement marks the successful creation of the world's first high-speed DFT calculation scheme that does not require the readout of electron density distributions.

Many conventional quantum fluid algorithms assume a closed space defined by simple cubes or regular grids to simplify calculations, making it extremely difficult to incorporate the boundary conditions associated with a vehicle's complex curved surfaces into the quantum computing process (unitary operations). Quemix and Nissan developed a new quantum-classical hybrid algorithm capable of handling complex vehicle shapes, designed for execution on Early Fault-Tolerant Quantum Computers (Early-FTQC). Simulations confirmed that the algorithm could reproduce analysis results obtained via conventional classical computers with high accuracy.

The newly developed technology, "QAVG" (QPE Averaged over Variable Grids), is an improvement upon Quantum Phase Estimation (QPE)—a core technique for materials calculations using quantum computers. Conventional QPE faced the challenge that increasing energy resolution led to a rise in the number of gate operations and computational costs. QAVG enables high-precision, high-speed DMFT calculations on quantum computers while curbing the increase in computational costs.

Quemix Inc. and DENSO Corporation have jointly developed foundational technology for performing molecular dynamics (MD) simulations on quantum computers. In this initiative, the two companies devised a "quantum-classical hybrid MD framework"—combining quantum and classical computing—and successfully predicted chemical states with high accuracy and low computational cost. This method paves the way for advanced quantum computing applications in fields requiring precise atomic-level analysis and functionality prediction, such as next-generation battery materials, polymer materials, catalysts, and drug discovery.

In collaboration with Sumitomo Rubber Industries, Ltd., we developed a method to accelerate fluid simulations using quantum computing. This method employs a new conversion technique that enables the high-speed readout of quantum computation results on classical computers, demonstrating the potential to reduce simulation image analysis time by up to a factor of 10,000 compared to conventional methods. This achievement is expected to contribute to enhancing the efficiency of large-scale simulations in tire material design and manufacturing processes.

Quemix and Honda R&D Co., Ltd. launched a joint research project in the field of quantum chemical calculations using quantum computers and successfully co-developed a new technology for reading out quantum states—a process essential for conducting simulations on these systems. Additionally, they performed X-ray Absorption Fine Structure (XAFS) calculations on actual quantum hardware. This marks the world's first successful execution of calculations applicable to materials development using logical qubits on actual quantum computing hardware.