5 papers
Optimizing ground state preparation protocols with autoresearch
Luis Mantilla Calderón, Jérôme F. Gonthier, Ignacio Gustin +2
Artificial intelligent language-model based coding agents have significantly changed the way we interact with computers in our day-to-day, as it is common to use them to create, im…
El Agente Forjador: Task-Driven Agent Generation for Quantum Simulation
Zijian Zhang, Aiwei Yin, Amaan Baweja +4
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 scientifi…
El Agente Quntur: A research collaborator agent for quantum chemistry
Juan B. Pérez-Sánchez, Yunheng Zou, Jorge A. Campos-Gonzalez-Angulo +12
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…
El Agente Estructural: An Artificially Intelligent Molecular Editor
Changhyeok Choi, Yunheng Zou, Marcel Müller +10
We present El Agente Estructural, a multimodal, natural-language-driven geometry-generation and manipulation agent for autonomous chemistry and molecular modelling. Unlike molecula…
El Agente Cuantico: Automating quantum simulations
Ignacio Gustin, Luis Mantilla Calderón, Juan B. Pérez-Sánchez +8
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 comp…