Younghun Kim

About

I am a Ph.D. candidate in Chemical and Biomolecular Engineering at KAIST, advised by Prof. Jihan Kim. I work at the interface of machine learning, molecular simulation, and materials chemistry to accelerate real-world materials discovery.

My research spans porous materials such as metal–organic frameworks (MOFs), as well as gas separation membranes, catalysis, and lithium metal batteries, much of it in close collaboration with experimental groups. I also work on inverse materials design and LLM agents for autonomous discovery.

Publications

Peer-reviewed work

2026

1. [1] Framework-Templated Gas Lattices in Metal-Organic Frameworks Y. Kim, D. Kim, S. Kim, Y. Lim, J. Kim* Nature CommunicationsCo-first author
2. [2] Large Language Models for Porous Materials: From Text Mining to Autonomous Laboratory S. Han, T. Bae, J. Kim, Y. Kim, J. Kim* Digital Discovery
3. [3] LLMB: AI agent for lithium metal battery research using large language model J. Lee, J. Woo, Y. Kim, S. Kim, C. Paulina, H. Park, H. T. Kim*, S. Park*, J. Kim* ACS Central Science

2025

1. [4] Nitrogen-enriched porous organic polymers for high-performance CO₂/N₂ separation in mixed-matrix membranes Y. Jeong, Y. Kim, W. S. Jeong, H. Choi, J. Kim*, T. Bae* Journal of Membrane Science
2. [5] Quantum Computing-Based Design of Multivariate Porous Materials S. Kang, Y. Kim, J. Kim* ACS Central ScienceCo-first author
3. [6] Amorphous Metal-Organic Framework Database for Amorphization Prediction and CO₂ Direct Air Capture Screening Y. Kim, W. Lee, J. Kim* ACS Applied Materials & Interfaces

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