Organizations: Department of Nuclear Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA · Department of Chemistry, Massachusetts Institute of Technology, Cambridge, MA 02139, USA · Department of Physics, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
Abstract
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.
While modern Large Language Models (LLMs) and agentic artificial intelligence (AI) have demonstrated transformative capabilities in digital domains, the realization of embodied AI capable of real-world scientific discovery remains a difficult frontier. The advancements are hindered by the inherent complexity of integrating high-level reasoning, multimodal information processing and real-time physical execution. Here we introduce Qumus, the first AI quantum materials experimentalist. Physically embodied within a robotic mini-laboratory, Qumus is an intelligent, multimodal, and multi-agent system designed for the creation and nano-processing of atomically thin two-dimensional (2D) materials and stacked van der Waals (vdW) structures. Qumus autonomously navigates the full scientific cycle, from hypothesis generation and protocol planning to multi-step experimental execution, result analysis and reporting, acting as an experimentalist. Markedly, the system has achieved, for the first time, the AI-creation of graphene, as well as the first AI-fabrication of complex nanodevices including atomically thin field-effect transistors via vdW stacking. Qumus excels at these tasks by demonstrating autonomous error correction and closed-loop experimentation. Our results establish a generalizable framework for self-improving embodied AI systems that learn directly from the quantum world, opening a pathway toward accelerated discovery in quantum materials, electronics and beyond.
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.
Constantin Dalyac, Alexandre Dauphin, Loïc Henriet +1
AI is evaluated through knowledge, reasoning and plan generation, yet scientific agency requires reliable physical action and adaptation to evidence. Here, we use a robotic chemistry laboratory as a physical-world testbed to make scientific agency measurable. Its 45 modular workstations exposed as machine-readable skills enabled 4,608 trials. Only 3.3% of trials produced expert-assessed executable workflows under laboratory constraints; even the best system achieved 28.1%. Long-horizon planning remained a challenge: only three executable workflows exceeded 30 operations, although the longest contained 44. Across five rounds, experimental feedback prompted local adjustments but no workflow-level replanning or analytical-method redesign. By making physical executability and evidence-driven replanning measurable, our study provides an evidence-based assessment of deployment readiness and a diagnostic framework to guide closed-loop improvements towards physically grounded autonomous research.