El agente cuántico: automating quantum simulations
Ignacio Gustín, L. Calderón, Juan B. Pérez-Sánchez, Chris Crebolder, Jérôme F. Gonthier, Mohammad Ghazi Vakili, Y. Nakamura, Karthik Panicker, Manav Ramprasad, Aiwei Yin, Zijian Zhang, Yunheng Zou, Varinia Bernales, Alán Aspuru‐Guzik
Quantum simulation is central to understanding and designing quantum systems across physics and chemistry. However, its practical use is often limited by the exponential growth of Hilbert space and by the increasing complexity of modern quantum-simulation software. Here we introduce 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-but not limited to-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.
Quantum simulation is central to understanding and designing quantum systems across physics and chemistry. However, its practical use is often limited by the exponential growth of Hilbert space and by the increasing complexity of modern quantum-simulation software. Here we introduce 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-but not limited to-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.
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.
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.
AI for science promises to accelerate the discovery process. The advent of large language models (LLMs) and agentic workflows enables the expediting of a growing range of scientific tasks. However, most of the current generation of agentic systems depend on static, hand-curated toolsets that hinder adaptation to new domains and evolving libraries. We present El Agente Forjador, a multi-agent framework in which universal coding agents autonomously forge, validate, and reuse computational tools through a four-stage workflow of tool analysis, tool generation, task execution, and iterative solution evaluation. Evaluated across 24 tasks spanning quantum chemistry and quantum dynamics on five coding agent setups, we compare three operating modes: zero-shot generation of tools per task, reuse of a curriculum-built toolset, and direct problem-solving with the coding agents as the baseline. We find that our tool generation and reuse framework consistently improves accuracy over the baseline. We also show that reusing a toolset built by a stronger coding agent can reduce API cost and substantially raises the solution quality for weaker coding agents. Case studies further demonstrate that tools forged for different domains can be combined to solve hybrid tasks. Taken together, these results show that LLM-based agents can use their scientific knowledge and coding capabilities to autonomously build reusable scientific tools, pointing toward a paradigm in which agent capabilities are defined by the tasks they are designed to solve rather than by explicitly engineered implementations.
We demonstrate that large language model (LLM) agents can autonomously perform tensor network simulations of quantum many-body systems, achieving approximately 90% success rate across representative benchmark tasks. Tensor network methods are powerful tools for quantum simulation, but their effective use requires expertise typically acquired through years of graduate training. By combining in-context learning with curated documentation and multi-agent decomposition, we create autonomous AI agents that can be trained in specialized computational domains within minutes. We benchmark three configurations (baseline, single-agent with in-context learning, and multi-agent with in-context learning) on problems spanning quantum phase transitions, open quantum system dynamics, and photochemical reactions. Systematic evaluation using DeepSeek-V3.2, Gemini 2.5 Pro, and Claude Opus 4.5 demonstrates that both in-context learning and multi-agent architecture are essential. Analysis of failure modes reveals characteristic patterns across models, with the multi-agent configuration substantially reducing implementation errors and hallucinations compared to simpler architectures.
Quantum computing offers a promising approach to non-perturbative simulations of quantum field theories, particularly for real-time dynamics and systems affected by the sign problem. Yet translating continuum field theories into quantum computations remains a challenging interdisciplinary task. Here we introduce \texttt{Jianmu-Q}, a multi-agent framework that transforms natural-language descriptions of quantum field theories into quantum simulation workflows. Specialized agents handle theoretical formulation, lattice discretization, qubit mapping, and circuit design, while physical consistency checks and independent numerical calculations provide validation throughout the workflow. We benchmark the framework on three field theories of increasing complexity: the (1+1)-dimensional Nambu--Jona-Lasinio and Schwinger models, and a (2+1)-dimensional Z2 gauge theory. Across these systems, noiseless quantum-circuit simulations converge toward independent exact-diagonalization and tensor-network results, while selected circuits are executed on IBM quantum hardware, demonstrating an end-to-end, validation-guided approach to quantum simulation of field theories.
Artificial intelligence (AI) and quantum information (QI) are rapidly co-evolving. AI is becoming a practical tool for learning, designing, controlling, and verifying quantum systems, while QI offers new computational models, representational structures, and learning-theoretic questions for AI. This survey reviews the interface from both directions. In the AI for QI direction, we organize recent progress around the central tasks of extracting information from limited measurements, training and discovering quantum algorithms, stabilizing noisy hardware, automating experimental and programming workflows, and extending learning-based methods to sensing and networking. In the QI for AI direction, we examine how quantum computation and quantum-inspired structures affect learning through algorithmic speedups, expressivity, trainability, generalization, neural-network design, and tensor-network representations. We close by identifying cross-cutting challenges in reproducibility, scalability, hardware realism, and co-design, arguing that progress will depend on tighter integration of theory, experiment, and hybrid quantum--classical systems.