80 citations · 104 across the 13 of their papers we have counts for
4 papers · 1 filter
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…
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…
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…