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cond-mat.mtrl-sci2026
Scaling LLM Agents for Materials Design through Hierarchical Collective Reasoning
Jaehwan Choi, Yousung Jung
Materials design must reconcile competing functional requirements with stability and synthesis constraints. Generative models can produce stable, novel crystals, but accommodating…
cond-mat.mtrl-sci2026
Compiling Chemical Knowledge into Executable Descriptors for Materials Prediction
Jaehwan Choi, Kunik Jang, Seongmin Kim +5
Materials prediction depends critically on how scientific knowledge is represented, yet many governing considerations exist only as natural-language heuristics that conventional le…
cond-mat.mtrl-sci2025★ 1 cited
Integrating electronic structure into generative modeling of inorganic materials
Junkil Park, Junyoung Choi, Yousung Jung
Recent advances in generative models have introduced a new paradigm for the inverse design of inorganic materials, enabling the discovery of new crystalline structures with desired…