2009/06/12 by Jing Zhu, Zhen Huang, Sabre Kais · 7 citations
Computer Science · Mathematics · Physics and Astronomy · #Algorithm #Computation #Computer science #Mathematical analysis #Mathematics #Maxima and minima #Physics #Quantum #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum computer #Quantum mechanics #Quantum-Dot Cellular Automata #Statistical physics #Theoretical physics #quant-ph
paper · pdf · doi:10.1080/00268970903117126
published in Molecular Physics 107(19), 2015-2023 (Taylor & Francis) · 6 figures. Molecular Physics, in press
arxiv created 2009/06/12 · openalex publication_date 2009/08/19 · arxiv updated 2015/05/13 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Finding the optimal solution to a complex optimisation problem is of great importance in practically all fields of science, technology, technical design and econometrics. We demonstrate that a modified Grover's quantum algorithm can be applied to real problems of finding a global minimum using modest numbers of quantum bits. Calculations of the global minimum of simple test functions and Lennard-Jones clusters have been carried out on a quantum computer simulator using a modified Grover's algorithm. The number of function evaluations N reduced from O(N) in classical simulation to O(N 1/2) in quantum simulation. We also show how the Grover's quantum algorithm can be combined with the classical Pivot method for global optimisation to treat larger systems.