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Honda R&D and Quemix have demonstrated a quantum algorithm that accelerates Density Functional Theory (DFT) calculations for large-scale systems, addressing a critical bottleneck in materials discovery where speed is prioritized over accuracy. By bypassing the nonlinear Gram-Schmidt orthogonalization process, this approach enables simulations of systems previously intractable for classical computers, potentially reshaping workflows in drug discovery and semiconductor manufacturing.

Sources coveringQuantum Zeitgeist, arXiv

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Honda R&D and Quemix Achieve DFT Speedup With Quantum Computing

Quantum ZeitgeistJune 4, 20265 min read

Quemix and Honda R&D jointly developed a quantum algorithm for exponentially faster Density Functional Theory (DFT) calculations, vital for materials.

Quemix Inc. and Honda R&D jointly issued a press release on June 3 detailing the development of a new quantum algorithm capable of calculations based on Density Functional Theory (DFT), a core technology for Materials DX. Accelerating DFT calculations is one of the foundational technologies in computational materials science. This joint research marks the first successful creation of a quantum algorithm designed to speed up DFT, potentially enabling simulations of extremely large-scale systems that would have been impossible using conventional computers. The advance promises to accelerate the development of new materials, an…

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