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physics.chem-ph2026
Measurement Reduction in Orbital-Optimized Variational Quantum Eigensolver via Orbital Compression
Yanxian Tao, Lingyun Wan, Jie Liu
The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quant…
physics.chem-ph2025★ 1 cited
Quantum-centric machine learning for molecular dynamics
Yanxian Tao, Lingyun Wan, Xiongzhi Zeng +4
Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio met…