A central obstacle in realizing color center cavity-QED-based quantum technologies is inhomogeneity, or disorder, among individual emitters. As the number of emitters increases, so does the complexity of the experimental data, making it difficult to quantify the present physical mechanisms of disorder. Here we introduce an artificial intelligence-driven model discovery framework in which a large language model (LLM)-based agent, equipped with tools and a structured workflow, proposes candidate Hamiltonian and Lindbladian models, generates computational tools, and quantitatively evaluates competing physical hypotheses. We apply the workflow to three previously published experimental cavity-QED datasets collected from color centers in diamond and silicon carbide. Across the experiments, the agent successfully identifies physical models for the system and characterizes the disorder. In assessing reproducibility, we find that run-to-run variability is concentrated primarily in the research plan generation step, while the computational analysis itself is substantially more consistent. Our results suggest that structured LLM agent workflows can support model discovery from quantum optical experimental data while simultaneously allowing for human expert supervision and collaboration.
A central obstacle in realizing color center cavity-QED-based quantum technologies is inhomogeneity, or disorder, among individual emitters. As the number of emitters increases, so does the complexity of the experimental data, making it difficult to quantify the present physical mechanisms of disorder. Here we introduce an artificial intelligence-driven model discovery framework in which a large language model (LLM)-based agent, equipped with tools and a structured workflow, proposes candidate Hamiltonian and Lindbladian models, generates computational tools, and quantitatively evaluates competing physical hypotheses. We apply the workflow to three previously published experimental cavity-QED datasets collected from color centers in diamond and silicon carbide. Across the experiments, the agent successfully identifies physical models for the system and characterizes the disorder. In assessing reproducibility, we find that run-to-run variability is concentrated primarily in the research plan generation step, while the computational analysis itself is substantially more consistent. Our results suggest that structured LLM agent workflows can support model discovery from quantum optical experimental data while simultaneously allowing for human expert supervision and collaboration.
The use of artificial intelligence (AI) in physics research is increasingly common, yet few guidelines exist for its effective use. Starting with a principles-based approach, we outline a set of ten requirements for collaborative AI agents in experimental physics, spanning scientific norms, effective agent use, and domain expertise. We take a human-centered approach in which agents act as collaborators that amplify rather than replace the expertise of a human researcher (user) who directs the work and is responsible for its results. We then present a framework designed to enforce these requirements, detailing methods for improving off-the-shelf behavior of large language models (LLMs) with custom scaffolding and describing general-purpose scientific workflows and skills. In particular, we highlight the power of closed-loop campaigns where agents work iteratively toward a well-defined goal. We demonstrate the potential of this mode of research through six case studies in experimental physics, covering device design, hardware control, neural network optimization, physical model identification, and data analysis. All six case studies result in useful work products that add utility to our research, including a neural network architecture and solid-state quantum defect photodynamic model that substantially outperform our published work; a microwave waveguide design that extends a published design concept to a fabrication-ready device meeting our experimental constraints; a quantum control pulse sequence candidate that improves simulated performance by more than an order of magnitude; commissioning of an NMR spectrometer to $\sim$1~Hz frequency precision on live hardware; and finally a data-fitting pipeline that achieves, to our knowledge, the first reconstruction of the Ising microstate of an artificial spin-ice array from diffraction-limited magnetic imaging.
We implement an agentic AI workflow built around a large language model (LLM) agent for autonomous experiments with nitrogen-vacancy (NV) centers in diamond. NV centers are a widely used platform for quantum sensing, and the ability to control many measurements from a computer makes NV experiments a natural setting for autonomous workflows. We make two main contributions. First, we demonstrate an autonomous NV experiment workflow that combines persistent project records, quantitative calculation and data analysis tools, and deterministic experiment control. In one autonomous experiment, the agent selected a single NV center, calibrated its resonant frequency, measured T2∗ with Ramsey measurements, and added a Carr--Purcell--Meiboom--Gill (CPMG) measurement to check a weak feature that could be related to nearby 13C. Second, we introduce two offline benchmarks that evaluate the agent's reasoning separately from laboratory execution. We evaluated both benchmarks with GPT-5.4, GPT-5.5, and GPT-5.6 Sol. In the Ramsey checkpoint benchmark, greater reasoning effort generally improved recognition of a residual resonance calibration offset. By contrast, in the pulsed optically detected magnetic resonance (pODMR) data evaluation benchmark, pulse sequence information alone produced more false positive resonance judgments at higher reasoning effort. Requiring an expected signal calculation kept false positive rates low across all three models and reasoning settings. The results suggest a clear division of labor for autonomous experiments. The agent forms scientific hypotheses and uses quantitative tools to evaluate data, while deterministic code controls the hardware and enforces safety constraints.
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.
An autonomous research laboratory could conduct an entire study, from formulating questions to preparing manuscripts. Artificial intelligence (AI) offers one route towards this goal. Recent AI systems take on several research roles, but may draw conclusions that the evidence does not support. Here, we present an autonomous research laboratory in which agents based on large language models assess one another's work and can stop or redirect investigations. They can generate and reject research questions, require separate theoretical checks and conduct experiments designed to challenge their claims. We demonstrate these capabilities by investigating ensembles of quantum spins in diamond. The agents derived the minimum number of calibration settings needed to predict responses to a defined family of microwave pulse sequences. They checked the result computationally and designed experiments to distinguish competing predictions. An initial experiment agreed with the theoretical predictions, but repeated reference measurements showed that the signal was drifting during data collection. The agents therefore treated the result as inconclusive and revised the measurement protocol without relaxing the acceptance criteria. The revised experiment met those criteria and supported the theoretical predictions. This study demonstrates that collaborating AI agents can select research questions, derive theoretical results and test their predictions experimentally.
AI scientists are expanding automated research across scientific domains, yet their ability to turn the scientific record into a foundation for autonomous discovery remains elusive. Here we uncover a fundamental barrier to this transition and demonstrate a route to overcome it in computational quantum science, where advances shape both what we can learn from complex quantum systems and what quantum computing can ultimately deliver. To identify this barrier, we introduce OmniQ, an expert-audited virtual research environment that converts published studies into executable reproduction tasks. Across 59 papers spanning classical simulation, quantum algorithms and quantum-property characterization, we systematically evaluate five agentic systems powered by large language models and six third-party agent harnesses. Our findings reveal that current AI scientists often fail to reproduce published results, exposing a fundamental mismatch between what scientific papers communicate and what autonomous agents require. By contrast, human expert intervention can turn these failures into successful reproductions, showing that the missing information can be identified and converted into reusable research experience. Guided by this observation, we develop Residual Agents (RA), a quantum-tailored self-improving AI scientist that distils externally verified workflow repairs into such experience. RA substantially improves research performance under fixed base models and limited adaptation budgets. For example, RA raises DeepSeek V4.1 Flash performance from 68% to 85%, matching Claude Code with Opus 5 at a third of its cost despite using a weaker base model. We integrate all reproduced results into an extensible platform built on the model context protocol, making verified research workflows directly accessible to AI scientists and allowing new scientific papers to be continuously incorporated.
The capabilities of modern artificial intelligence (AI) as a “scientific collaborator” are explored by engaging it with three nuanced problems in quantum optics: state populations in optical pumping, resonant transitions between decaying states (the Burshtein effect), and degenerate mirrorless lasing. Through iterative dialogue, the authors observe that AI models–when prompted and corrected–can reason through complex scenarios, refine their answers, and provide expert-level guidance, closely resembling the interaction with an adept colleague. The findings highlight that AI can democratize access to sophisticated modeling and analysis, shifting the focus in scientific practice from technical mastery to the generation and testing of ideas, and reducing the time for completing research tasks from days to minutes. Large language models (LLMs) are a new and powerful tool for solving specific physics problems. Here, the authors explore their capabilities in solving three problems of increasing complexity in quantum optics, finding that with appropriate prompts and careful feedback, a well-trained LLM can be used as an effective scientific collaborator.