Publication

Nano-Quantum Variational Diffusion Model Solving Inefficient Solar Material Synthesis via Accelerated Discovery in Photovoltaic Nanostructure Design

Salma El-Masry, Hafiz Zulkarnain

Journal of Quantum Nano- Green Environmental SystemsJun 30, 2025
Abstract

Insufficient experimental cycles, costly material screening, and ineffective solar-material synthesis all slow the rapid growth of photovoltaic nanostructures. Conventional machine learning algorithms and traditional trial-and-error techniques are inadequate in capturing the quantum-scale interactions that govern nano-engineered solar absorbers, resulting in suboptimal energy conversion efficiency and delayed commercialization. This study proposes a Nano-Quantum Variational Diffusion Model (NQVDM) to expedite the identification and optimization of photovoltaic nanomaterials, potentially addressing these challenges. The proposed framework employs bandgap energy, surface morphology, defect density, lattice structure, and variational quantum circuits to model high-dimensional synthesis parameters. The diffusion model iteratively improves the candidate material distributions until they reach high-efficiency configurations. The quantum variational layer, on the other hand, uses a hybrid quantum-classical optimization technique to capture nonlinear quantum correlations. An experimental evaluation was conducted using a reference dataset of photovoltaic nanostructure parameters, which had been validated both theoretically and experimentally. The NQVDM outperforms standard optimization methods like DNNs and GANs, as well as Bayesian optimization, in terms of stability and generating power. The results reveal that the synthesis optimization error decreased by 31.2%, the expected power conversion efficiency (PCE) increased by 22.4%, and the material discovery speed increased by 28.6%. Also, the time required for the computer to converge was reduced by 26.8%, suggesting that the diffusion-driven quantum framework might speed up processes. The proposed NQVDM significantly enhances the efficiency of solar material production by integrating quantum variational learning with probabilistic diffusion modeling. This paradigm enables data-driven, quantum-aware nanostructure design, enhancing photovoltaic performance measures while reducing experimental overhead. This technology is a strategy to move forward, scalable for identifying smart solar materials for the next generation.

1Authors

AuthorAffiliationh-indexCitations
Salma El-MasryMinistry of Science, Technology and Innovation00
Hafiz ZulkarnainMinistry of Science, Technology and Innovation00

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