13 citations · 20 across the 7 of their papers we have counts for
7 papers
La Agente Óptima: Towards Agentic Self-Driving Laboratories
Marcel Müller, Jiaru Bai, Willi Gottstein +14
Self-driving laboratories (SDLs) combine automated experimentation with adaptive decision-making to accelerate scientific discovery. Their operation nevertheless often depends on h…
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…
EGMOF: Efficient Generation of Metal-Organic Frameworks Using a Hybrid Diffusion-Transformer Architecture
Seunghee Han, Yeonghun Kang, Taeun Bae +5
Designing materials with targeted properties remains challenging due to the vastness of chemical space and the scarcity of property-labeled data. While recent advances in generativ…
Schema for In-Context Learning
Pan Chen, Shaohong Chen, Mark Wang +4
In-Context Learning (ICL) enables transformer-based language models to adapt to new tasks by conditioning on demonstration examples. However, traditional example-driven in-context…
The Rise of Generative AI for Metal-Organic Framework Design and Synthesis
Chenru Duan, Aditya Nandy, Shyam Chand Pal +17
Advances in generative artificial intelligence are transforming how metal-organic frameworks (MOFs) are designed and discovered. This Perspective introduces the shift from laboriou…