Title: Quantum-Enhanced Material Design via Lattice-Based Optimization (QLBO)

Jincheng Zhang

Published Sep 6, 2026• 0 citations

Abstract

Quantum-enhanced material design offers the potential to accelerate the discovery of novel materials with unprecedented properties, surpassing traditional approaches. This paper presents a novel optimization algorithm, Quantum-Enhanced Material Design via Lattice-Based Optimization (QLBO), which leverages quantum mechanics to efficiently explore the chemical space of material configurations. We demonstrate the efficacy of QLBO in rapidly identifying promising material candidates through a variational quantum eigensolver (VQE) guided search. This approach provides a direct path to optimization based on quantum mechanics, addressing limitations of conventional methods. The algorithm's core mechanism utilizes VQE to efficiently navigate complex chemical spaces, resulting in accelerated design cycles and the discovery of materials with precisely tailored properties.

DOI: 10.5281/zenodo.22473773

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