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.
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.
The design of high performing quantum circuits remains largely dependent on human expertise. We introduce an autonomous agentic framework that employs large language models (LLMs) to conduct iterative quantum circuit designs under explicit design constraints. Our system integrates seven components: Exploration, Generation, Discussion, Validation, Storage, Evaluation, and Review. These components form a closed-loop workflow that combines web-based knowledge acquisition, literature-grounded critique, executable code generation, and experimental feedback. We evaluate the framework on two tasks: quantum feature map construction for quantum machine learning and ansatz generation for variational quantum eigensolver applications in quantum chemistry. In image classification benchmarks, the best generated feature map outperforms representative quantum feature maps and, when scaled to larger qubit counts, surpasses the classical radial basis function kernel. In molecular ground state estimation across seven molecules, the generated ansatz attains competitive accuracy with widely used chemically inspired and hardware-efficient constructions while satisfying the imposed scaling constraints. These results establish LLM driven agentic system as a viable paradigm for automated quantum circuit design and illustrate how AI systems can participate in iterative scientific optimization workflows across scientific domains.
Quantum optimal control (QOC) underpins adiabatic quantum computation, quantum annealing, and quantum state engineering, yet practical deployment is fundamentally bottlenecked by strict hardware constraints and substantial expert effort required to design protocols for each problem instance. To overcome this, we introduce QOC-Workbench, an auditable, large language model (LLM)-driven workflow that acts as an automated quantum co-scientist for cross-paradigm protocol design. Going beyond traditional numerical optimizers that merely tune parameters within a fixed formula, the LLM autonomously parses physics literature, proposes structural hypotheses, and writes code to validate them by direct simulation. This workflow supports cross-paradigm design by accumulating control motifs across tasks. We demonstrate this approach across three distinct settings: Case 1, Rydberg-atom maximum-independent-set arrays; Case 2, interacting XXZ spin chains; and Case 3, random transverse-field Ising models. In Cases 1 and 2, the workflow autonomously discovers hardware-compliant auxiliary controls, target catalysts, and schedule deformations that outperform literature baselines. In Case 3, it addresses the computational bottleneck of variational counterdiabatic driving by escalating from per-instance optimization to an amortized graph-neural-network generator, successfully transferring learned coefficient paths to larger unseen systems. By actively bridging the gap between theoretical algorithms and experimental restrictions across distinct control paradigms and Hamiltonian families, QOC-Workbench establishes a continuously evolving, cross-paradigm methodology for autonomous quantum control.
In advanced complementary metal-oxide-semiconductor (CMOS) quantum chips, compact gate stacks make it difficult to connect lithographic geometry, electrostatic confinement and many-electron spin filling in one transparent model. This connection is central to design-technology co-optimization (DTCO). Here we develop a reduced-order analytical framework for asymmetric multigate silicon quantum-dot devices. Its electrostatic core, the Poisson-kernel coupled-interface Green-function (PK-GF) model, agrees with an independent finite-volume solution at the millivolt scale for the matched two-dimensional problem, without fitting to that solution. We then pass the gate-derived confinement, rather than a harmonic or fitted potential, to a spin-valley many-body calculation for a jellybean quantum dot with N = 2-17 electrons at B = 5 T. The unrestricted Hartree-Fock (UHF) solution supports occupation-dependent, Wigner-molecule-like charge localization but likely overestimates spin polarization. Complete active-space configuration interaction (CASCI) supports a low-spin branch within the tested active spaces, which aligns with the experiments. The workflow therefore connects CMOS layout, device electrostatics, and potential-determined quantum observables, providing an auditable modelling layer for CMOS-based qubit design and DTCO.
Quantum algorithms and quantum hardware are advancing towards a promising paradigm for scientific applications. However, translating domain-specific problems into executable hybrid quantum-classical workflows remains a significant barrier for application researchers due to the required expertise in quantum algorithms, nuances in quantum programming, and hardware-aware system integration. At the same time, AI and primarily LLM based agents are increasingly capable of interpreting natural-language intent, reasoning over complex workflows, and translating high-level objectives into executable code and building computational pipelines. In this work, we introduce SQD Agent, an LLM-based agentic framework that translates natural-language user intent into executable workflows for Quantum Chemistry applications where algorithms from the Sample-Based Quantum Diagonalization (SQD) family are used. By automating this translation, SQD Agent reduces the level of human expertise and configuration overhead required, thereby simplifying experimentation in hybrid quantum-classical settings for application researchers new to quantum. SQD Agent adopts a modular and extensible architecture that supports seamless integration of heterogeneous quantum backends, classical solvers, and workflow components, ensuring adaptability to rapidly evolving quantum ecosystems. The framework further incorporates interactive capabilities for on-demand profiling, bottleneck analysis, resource optimization, intelligent result caching, and convergence visualization. Key features include quantum chemistry experiments, error mitigation on real quantum hardware, together with analysis of candidate mitigation schemes in terms of their potential error-recovery behavior and computational budget, helping users understand their practical trade-offs and decide which strategies to explore in subsequent experiments.
Quantum computing devices are recognized as powerful tools for solving NP-complete problems. However, the intricacy of their modeling presents notable barriers for non-specialists, while the tedious iteration of constraint weights and modeling methodologies also consumes substantial effort on the part of experts. To address these challenges, this study integrates a femtosecond laser-pumped Coherent Ising Machine (CIM) with an LLM-driven agentic system by leveraging the LangGraph and LangChain frameworks. Comprehensive investigations demonstrate that large language models (LLMs) can effectively perform such tasks in modeling as QUBO/Ising model calibration, constraint weight decision iteration and rapid validation of literature-reported schemes. Notably, all these tasks can be fully implemented based on domestic large models, combined with domestically developed CIM hardware, we truly achieve the practical empowerment of quantum CIM that fully relies on all-domestic agentic large models and hardware. This work successfully realizes robust technological integration, laying a solid foundation for subsequent research. Nevertheless, it also identifies the persisting challenges in the two cutting-edge fields of large models and quantum computing at the current stage. Encouragingly, we unexpectedly discover a promising new paradigm where accumulated knowledge from agent-assisted quantum computing iterations reciprocally enhances the agent's own problem-solving capability, thereby addressing these challenges.
As with any quantum computing platform, semiconductor quantum dot devices require sophisticated hardware and controls for operation. The increasing complexity of quantum dot devices necessitates the advancement of automated control software and image recognition techniques for rapidly evaluating charge stability diagrams. We use an image analysis toolbox developed in Python to automate the calibration of virtual gates, a process that previously involved a large amount of user intervention. Moreover, we show that straightforward feedback protocols can be used to simultaneously tune multiple tunnel couplings in a triple quantum dot in a computer automated fashion. Finally, we adopt the use of a “tunnel coupling lever arm” to model the interdot barrier gate response and discuss how it can be used to more rapidly tune interdot tunnel couplings to the gigahertz values that are compatible with exchange gates.