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Trapped Ion Quantum Computing Quantum Simulation Quantum Chemistry

Variational quantum eigensolver for chemical molecules

arXiv
Authors: Luca Ion, Adam Smith

Year

2025

Paper ID

36175

Status

Preprint

Abstract Read

~2 min

Abstract Words

87

Citations

N/A

Abstract

Solving interacting multi-particle systems is a central challenge in quantum chemistry and condensed matter physics. In this work, we investigate the computation of ground states and ground-state energies for the He-H+ and H2O molecules using quantum computing techniques. We employ the variational quantum eigensolver (VQE), implemented both on a quantum computer simulator and on an IBM quantum device. The resulting energies are benchmarked against exact ground-state energies obtained via classical methods. Simulations of the H2O molecule were performed on Nottingham's High Performance Computing (HPC) facilities.

Why This Paper Matters

  • This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
  • It adds a 2025 reference point for readers tracking recent quantum research.
  • Solving interacting multi-particle systems is a central challenge in quantum chemistry and condensed matter physics.

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