Simulating Chemical Reaction Dynamics Using Sample-Based Quantum Diagonalization: A Quantum-Centric Supercomputing Appro

Journal of the American Chemical Society · 2026-10-12 · 期刊论文

Abstract Quantum computers offer the potential to simulate chemical systems beyond the capabilities of classical computers. However, current quantum computing approaches to ab initio molecular dynamics (AIMD) and vibrational analysis largely rely on the Variational Quantum Eigensolver (VQE), whose circuit depth, iterative optimization, and measurement overhead hinder the practical simulation of molecular systems. Her…

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Sumit Kumar, Kalpak Ghosh, Deepak Kumar 等

本文摘自《每日前沿研究简报 · 2026-10-14》「物理学」。本内容仅用于研究信息整理与科普交流，不构成医疗建议。