Publication date: 15th December 2025
Quantum Dot Space is a new open-access platform designed to streamline the design, exploration, and sharing of quantum-dot (QD) structures and passivation schemes. Using the integrated QD Builder, users can upload a core geometry (.cif or custom), tune size, aspect ratio, crystal facets, shells, and ligand passivation to build fully passivated nanocrystals ready for simulation or visualization. Complementing the builder, the curated QD Library hosts a growing collection of pre-computed QD structures across material classes, sizes, and functionalizations — all downloadable and viewable in 3D, with metadata including stoichiometry, facet configuration, and ligand distributions. Quantum Dot Space thus accelerates computational-materials workflows, promotes reproducibility, and fosters collaborative sharing of QD data. In this talk, I will present the platform’s design philosophy, demonstrate how to build and retrieve QDs, and discuss how this resource can support ML-FF training, high-throughput screening, and community-driven QD research.
