Fully automated self-driving laboratories promise high-throughput, large-scale scientific discovery by reducing repetitive labor. However, they require deep integration of laboratory knowledge, which is often unstructured, multimodal, and hard to incorporate into current AI systems. This paper introduces the "k-agents" framework, designed to support experimentalists in organizing laboratory knowledge and automating experiments with agents. The framework uses large-language-model-based agents to encapsulate laboratory knowledge, including available operations and methods for analyzing results. To automate experiments, execution agents break multistep procedures into agent-based state machines, interact with other agents to execute steps, and analyze results. These results drive state transitions, enabling closed-loop feedback control. We demonstrate the system on a superconducting quantum processor, where agents autonomously planned and executed experiments for hours, successfully producing and characterizing entangled quantum states at human-level performance. Our knowledge-based agent system opens new possibilities for managing laboratory knowledge and accelerating scientific discovery.
Fully automated self-driving laboratories promise high-throughput, large-scale scientific discovery by reducing repetitive labor. However, they require deep integration of laboratory knowledge, which is often unstructured, multimodal, and hard to incorporate into current AI systems. This paper introduces the "k-agents" framework, designed to support experimentalists in organizing laboratory knowledge and automating experiments with agents. The framework uses large-language-model-based agents to encapsulate laboratory knowledge, including available operations and methods for analyzing results. To automate experiments, execution agents break multistep procedures into agent-based state machines, interact with other agents to execute steps, and analyze results. These results drive state transitions, enabling closed-loop feedback control. We demonstrate the system on a superconducting quantum processor, where agents autonomously planned and executed experiments for hours, successfully producing and characterizing entangled quantum states at human-level performance. Our knowledge-based agent system opens new possibilities for managing laboratory knowledge and accelerating scientific discovery.
The integration of large language models (LLMs) into scientific research is accelerating the realization of autonomous ``AI Scientists.'' While recent advancements have empowered AI to formulate hypotheses and design experiments, a critical gap remains in the execution of these tasks, particularly in the domain of quantum computing (QC). Executing quantum algorithms requires not only generating code but also managing complex computational resources such as QPUs and high-performance computing (HPC) clusters. In this paper, we propose an AI-driven framework specifically designed to bridge this execution gap through the implementation of a Model Context Protocol (MCP) server. Our system enables an LLM agent to process natural language prompts submitted as part of a job, autonomously executing quantum computing workflows by invoking our tools via the MCP. We demonstrate the framework's capability by performing essential quantum algorithmic primitives, including sampling and computation of expectation values. Key technical contributions include the development of an MCP server for quantum execution, a pipeline for interpreting OpenQASM code, an automated workflow with CUDA-Q for the ABCI-Q hybrid platform, and an asynchronous execution pipeline for remote quantum hardware using the Quantinuum emulator via CUDA-Q. This work validates that AI agents can effectively abstract the complexities of hardware interaction through an MCP-based architecture, thereby facilitating the automation of practical quantum research.
Artificial intelligence (AI) is used in numerous fields of science, yet the initial research questions and targets are still almost always provided by human researchers. AI-generated creative ideas in science are rare and often vague, so that it remains a human task to execute them. Automating idea generation and implementation in one coherent system would significantly shift the role of humans in the scientific process. Here we present AI-Mandel, an LLM agent that can generate and implement ideas in quantum physics. AI-Mandel formulates ideas from the literature and uses a domain-specific AI tool to turn them into concrete experiment designs that can readily be implemented in laboratories. The generated ideas by AI-Mandel are often scientifically interesting - for two of them we have already written independent scientific follow-up papers. The ideas include new variations of quantum teleportation, primitives of quantum networks in indefinite causal orders, and new concepts of geometric phases based on closed loops of quantum information transfer. AI-Mandel is a prototypical demonstration of an AI physicist that can generate and implement concrete, actionable ideas. Building such a system is not only useful to accelerate science, but it also reveals concrete open challenges on the path to human-level artificial scientists.
Quantum simulation is central to understanding and designing quantum systems across physics and chemistry. Yet it has barriers to access from both computational complexity and computational perspectives, due to the exponential growth of Hilbert space and the complexity of modern software tools. Here we introduce{\cinzel El Agente Cuántico}, a multi-agent AI system that automates quantum-simulation workflows by translating natural-language scientific intent into executed and validated computations across heterogeneous quantum-software frameworks. By reasoning directly over library documentation and APIs, our agentic system dynamically assembles end-to-end simulations spanning state preparation, closed- and open-system dynamics, tensor-network methods, quantum control, quantum error correction, and quantum resource estimation. The developed system unifies traditionally distinct simulation paradigms behind a single natural-language interface. Beyond reducing technical barriers, this approach opens a path toward scalable, adaptive, and increasingly autonomous quantum simulation, enabling faster exploration of physical models, rapid hypothesis testing, and closer integration between theory, simulation, and emerging quantum hardware.
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 computers are moving from research laboratories to industrial machines accessible via the cloud and integrated into high-performance computing facilities. However, translating theoretical quantum protocols into hardware experiments remains a major bottleneck, requiring expertise across protocol design, compilation, simulation, and cloud execution. Here, we introduce an agentic workflow that automates this pipeline on neutral-atom quantum processors (here two Pasqal QPUs available on the cloud) while keeping the researcher in the loop for critical validation. In three case studies from many-body physics and optimization, the agent went from published paper or patent to a QPU campaign run overnight. In particular, human intervention was crucial to ensure scientific validity: the agent selected an inadequate observable in one experiment and constructed a plausible but incorrect hardware diagnosis in another, with both failures detected only through domain-expert review. Finally, we use a second agent to classify a corpus of 633 Rydberg-array arXiv papers and show that nearly half are implementable on present-day QPUs while identifying specific hardware upgrades needed for the rest. Together, these results demonstrate that agentic workflows provide a practical bridge between theoretical ideas and physical hardware, opening quantum experimentation to a much broader scientific community.
Reliable quantum engineering is essential for turning quantum phenomena into practical technologies. As quantum platforms grow in scale and complexity, their characterization and operation require increasing human effort and coordination. Scientific artificial intelligence agents, which can plan experiments, operate instruments, and analyze observations, offer a promising route towards autonomous quantum engineering. Yet whether current agents can perform reliably in this setting has not been systematically established. To fill this gap, we developed Quantum-Harbor, a virtual laboratory that provides a controlled execution environment for agents to interact with quantum systems. This design enables direct verification of both the actions taken and the conclusions drawn. Building on this framework, we introduce QIQCBench, a benchmark of 49 expert-authored tasks spanning multiple layers including calibration and control, error correction and compilation, sensing and networking. Across 17 frontier agentic systems, QIQCBench reveals wide variation in verified performance. These results expose a substantial gap between demonstrating capability and achieving reliable operation, and establish Quantum-Harbor as a foundation for measuring progress towards verified autonomy in quantum engineering.