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美日科研成果 量子计算与传统超算联袂模拟分子行为
Huan Qiu Wang Zi Xun·2025-07-08 02:00

Core Insights - IBM and RIKEN researchers successfully simulated quantum behaviors of various molecules by combining quantum and supercomputing technologies, paving new paths for chemical and pharmaceutical research [1][2] Group 1: Research Collaboration - IBM's "Eagle" quantum computer collaborated with Japan's "Fugaku" supercomputer to simulate the quantum states of nitrogen molecules and two iron-sulfur compounds using a spatial quantum dynamics algorithm [1] - The quantum computer performed core calculations while the supercomputer acted as a "quality inspector," correcting errors in real-time [1] Group 2: Performance and Future Prospects - Although the hybrid model has not yet surpassed the independent performance of supercomputers, it has demonstrated competitive capabilities in computational chemistry [2] - Kenneth M. Moritz from Cleveland Clinic noted that the improved spatial quantum dynamics algorithm can simulate molecular behavior in solution, making chemical modeling more realistic [2] - There is optimism that the combination of quantum and classical computing could show significant advantages within a year after further algorithm optimization [2] Group 3: Industry Developments - NVIDIA has developed a software platform supporting hybrid computing, while Microsoft emphasizes the transformative potential of the combination of quantum computing, supercomputing, and artificial intelligence in chemistry and materials science [2] - Caution is expressed by Markus Reiher from ETH Zurich, who highlights the need to observe the method's performance in large molecule simulations before it can be considered the preferred approach for quantum chemical calculations [2] Group 4: Ongoing Improvements - The RIKEN laboratory has upgraded to a new IBM quantum processor with lower error rates, and the research team is working on optimizing the spatial quantum dynamics algorithm and enhancing the collaboration efficiency between "Eagle" and "Fugaku" [2]