zenDot: An LLM-integrated quantum TCAD platform for semiconductor quantum-device design and optimization automation

Abstract

Semiconductor quantum-device design still lacks an integrated Technology Computer-Aided Design (TCAD)-like environment that connects material geometry, quantum many-body simulation, and automated design. Here we introduce zenDot, a large-language model (LLM)-integrated quantum TCAD platform that links a material-labelled device state to a unified condensed-matter physics toolbox. The device and calculation components are integrated into a desktop workbench, Python API, and an embedded LLM agent, allowing electrostatics, charge and transport characterization, correlated-state calculations, and qubit modelling to be executed within one reproducible environment. We demonstrate zenDot on a Si/SiO2 double quantum dot, where a single device state reproduces the characterization workflow and supports hybrid, tunnel-charge, and singlet-triplet qubit analyses. A platform-level universal-control scan revises the singlet-triplet operating point and reduces the predicted worst-gate infidelity by nearly 30-fold. Beyond analysis, the LLM agent directly operates the same physics environment as human users, proposing design changes, executing registered simulations, and iterating on solver-returned metrics under physics-aware validation. Across three demonstration tasks it completes 18 validated design iterations, including geometry modification followed by a full re-solve from the material stack. zenDot establishes a machine-operable quantum TCAD workflow that connects device physics with LLM-driven design exploration.