21 citations · 21 across the 5 of their papers we have counts for
7 papers
MOF-VERIFY: A Failure-Aware Agentic Harness for MOF Hypothesis Verification
Donghyun Lee, Taehoon Lee, Geonhee Ahn +10
Large language models are increasingly used as reasoning components in AI-driven materials Co-Scientists, yet the reliability of the resulting verification pipeline remains unclear…
Reliability Value of Long-Duration Energy Storage against Extreme Events in High-Renewable Grids: A Full-Year AC-OPF Assessment
Jeongdong Kim, Jonggeol Na, Sungho Shin
Long-duration energy storage (LDES) can mitigate prolonged renewable--load imbalances during Dunkelflaute events, but existing studies rely on zonal or linearized DC network models…
Catalyst Diffusion Transformer: Generative Inverse Design of Heterogeneous Catalysts
Hayoung Doo, Dong Hyeon Mok, Seoin Back +1
The vast chemical design space and complex, interdependent design variables make catalyst discovery for targeted properties highly labor- and resource-intensive. Although generativ…
CatRetriever: Contrastive Representation Learning for Slab-to-Bulk Retrieval in Generative Catalyst Discovery
Jungho Oh, Woosung Kim, Dong Hyeon Mok +2
Inverse design is an emerging data-driven paradigm for efficiently navigating vast chemical spaces to discover new materials with targeted properties, and in the context of heterog…
Toward Controllable Catalyst Inverse Design via Large-Scale Autoregressive Pretraining
Dong Hyeon Mok, Jonggeol Na, Seoin Back
Inverse design of heterogeneous catalysts remains challenging because catalyst surfaces exhibit substantial structural complexity with coupled surface-adsorbate interactions across…
MIND: AI Co-Scientist for Material Research
Geonhee Ahn, Donghyun Lee, Hayoung Doo +3
Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental veri…
Materials Discovery with Extreme Properties via Reinforcement Learning-Guided Combinatorial Chemistry
Hyunseung Kim, Haeyeon Choi, Dongju Kang +2
The goal of most materials discovery is to discover materials that are superior to those currently known. Fundamentally, this is close to extrapolation, which is a weak point for m…