Lowering the implementation barrier of neutral-atom quantum computing with agentic workflows

What does a book look like to a quantum computer? This paper takes eight classical works of the Renaissance and its late-antique inheritance -- from Augustine to Galileo -- and runs each through a neutral-atom quantum processor. The bridge is graphs: each textual unit becomes an atom, and graph edges are physical blockade constraints for engineered exact unit-disk designs, or a 2D approximation to the semantic graph for natural texts. Three contributions follow. First, we introduce rigidity rho, a metric for how unique a book's structural backbone is -- distinguishing Marguerite de Navarre's Heptameron (rigid, twelve-nouvelle hard core) from Boethius (fully fungible, every chapter substitutable). Second, we invert the pipeline: rather than extracting a graph from existing prose, we pick a target graph the hardware encodes natively, and write a book whose structure matches it. The twenty-nine texts written this way, collected under the name QOuLiPo, extend the OuLiPo tradition to graph-topological constraints and, together with the eight natural texts, form a benchmark distribution against which neutral-atom hardware can be tracked as it scales. Third, we run both natural and engineered texts on Pasqal's FRESNEL processor up to one hundred atoms; engineered texts reach high approximation ratios, the cleanest instances returning the exact backbone. A cloud-accessible quantum machine plus an agentic coding environment now lets a single investigator run this pipeline end-to-end. What is reported is an application layer, not a speedup -- humanistic instances ready to load onto neutral-atom processors as they scale, already complementing classical text analysis. The Digital Humanities community has a stake in building familiarity with this hardware now: the engineered-corpus design choices made today fix the benchmark distribution future hardware will be measured against.

Quantum chemistry is a foundational enabling tool for the fields of chemistry, materials science, computational biology and others. Despite of its power, the practical application of quantum chemistry simulations remains in the hands of qualified experts due to methodological complexity, software heterogeneity, and the need for informed interpretation of results. To bridge the accessibility gap for these tools and expand their reach to chemists with broader backgrounds, we introduce El Agente Quntur, a hierarchical, multi-agent AI system designed to operate not merely as an automation tool but as a research collaborator for computational quantum chemistry. Quntur was designed following three main strategies: i) elimination of hard-coded procedural policies in favour of reasoning-driven decisions, ii) construction of general and composable actions that facilitate generalization and efficiency, and iii) implementation of guided deep research to integrate abstract quantum-chemical reasoning across subdisciplines and a detailed understanding of the software's internal logic and syntax. Although instantiated in ORCA, these design principles are applicable to research agents more generally and easily expandable to additional quantum chemistry packages and beyond. Quntur supports the full range of calculations available in ORCA 6.0 and reasons over software documentation and scientific literature to plan, execute, adapt, and analyze in silico chemistry experiments following best practices. We discuss the advances and current bottlenecks in agentic systems operating at the research level in computational chemistry, and outline a roadmap toward a fully autonomous end-to-end computational chemistry research agent.

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 $T_2^\ast$ with Ramsey measurements, and added a Carr--Purcell--Meiboom--Gill (CPMG) measurement to check a weak feature that could be related to nearby $^{13}\mathrm{C}$. 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.