80 citations · 104 across the 13 of their papers we have counts for
6 papers · 1 filter
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…
QCalEval: Benchmarking Vision-Language Models for Quantum Calibration Plot Understanding
Shuxiang Cao, Zijian Zhang, Abhishek Agarwal +29
Quantum computing calibration depends on interpreting experimental data, and calibration plots provide the most universal human-readable representation for this task, yet no system…
El Agente Sólido: A New Age(nt) for Solid State Simulations
Sai Govind Hari Kumar, Yunheng Zou, Andrew Wang +8
Quantum chemistry calculations are a key component of the materials discovery process. The results from first-principles explorations enable the prediction of material properties p…
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…
Materealize: a multi-agent deliberation system for end-to-end material design and synthesis
Seongmin Kim, Jaehwan Choi, Kunik Jang +4
We propose Materealize, a multi-agent system for end-to-end inorganic materials design and synthesis that orchestrates core domain tools spanning structure generation, property pre…