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Quantum Simulation Quantum Chemistry

Velocity Verlet-based optimization for variational quantum eigensolvers

arXiv
Authors: Rinka Miura

Year

2026

Paper ID

28514

Status

Preprint

Abstract Read

~2 min

Abstract Words

96

Citations

N/A

Abstract

The Variational Quantum Eigensolver (VQE) is a key algorithm for near-term quantum computers, yet its performance is often limited by the classical optimization of circuit parameters. We propose using the velocity Verlet algorithm, inspired by classical molecular dynamics, to address this challenge. By introducing an inertial "velocity" term, our method efficiently explores complex energy landscapes. We compare its performance against standard optimizers on H2 and LiH molecules. For H2, our method achieves chemical accuracy with fewer quantum circuit evaluations than L-BFGS-B. For LiH, it attains the lowest final energy, demonstrating its potential for high-accuracy VQE simulations.

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  • The Variational Quantum Eigensolver (VQE) is a key algorithm for near-term quantum computers, yet its performance is often limited by the classical optimization of circuit...

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References & Citation Signals

[1] DOI https://doi.org/arXiv:2603.09862 [2] arXiv https://arxiv.org/abs/2603.09862 [3] Publisher https://arxiv.org/abs/2603.09862

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