Achieving deterministic placement of self-assembled quantum dots (QDs) during epitaxial growth is essential for the reliable and efficient fabrication of high-quality single-photon sources and solid-state cavity quantum electrodynamics (cQED) systems, yet it remains a significant challenge, owing to the inherent stochasticity of QD nucleation processes. In this work, we theoretically and numerically demonstrate that deterministic QD nucleation within a pristine growth region, e.g., $\mathrm{In}\mathrm{As}$ on a (001)-oriented $\mathrm{Ga}\mathrm{As}$ substrate, can be achieved by engineering the boundary geometry of that region. During epitaxial growth, adatoms initially move toward the boundary and promote the formation of primary QDs along the boundary, driven by curvature and diffusion anisotropy. The resulting primary QD distribution will generate many-body interactions that dynamically reshape the chemical potential landscape for subsequently deposited adatoms, enabling the formation of secondary QDs within the pristine growth region. These findings provide a theoretical foundation for reliable patterning of high optical-quality QDs, with potential applications in next-generation quantum photonic devices.

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• Growth
• Interface & surface thermodynamics
• Island
• Nanotechnology
• Quantum dots
• Semiconductors
• Langevin equation
• Monte Carlo methods