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Simulation of Lennard-Jones Potential on a Quantum Computer

2021/01/01 by Prabhat, Bikash K. Behera · 1 citation
Computer Science · Physics and Astronomy · #Lennard-Jones potential #Molecular dynamics #Physics #Quantum #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum Mechanics and Applications #Quantum computer #Quantum mechanics #Quantum simulator #Statistical physics #quant-ph

paper · pdf · doi:10.13140/rg.2.2.24765.08167

The manuscript contains 14 pages and 16 figures

openalex publication_date 2021/01/01 · arxiv created 2021/01/22 · openalex created_date 2021/02/01 · arxiv updated 2021/02/02 · openalex updated_date 2026/08/05

Abstract

Simulation of time dynamical physical problems has been a challenge for classical computers due to their time-complexity. To demonstrate the dominance of quantum computers over classical computers in this regime, here we simulate a semi-empirical model where two neutral particles interact through Lennard-Jones potential in a one-dimensional system. We implement the above scenario on the IBM quantum experience platform using a 5-qubit real device. We construct the Hamiltonian and then efficiently map it to quantum operators onto quantum gates using the time-evolutionary unitary matrix obtained from the Hamiltonian. We verify the results collected from the QASM-simulator and compare it with that of the 5-qubit real chip ibmqx2.

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