publications

2026

1. 

   Size-Dependent Dynamic Surface States of Ru Clusters: Modulating Interfacial Water Structure for Enhanced Alkaline Hydrogen Evolution Reaction

   Jiwon Kim^†, Jinuk Moon^†, Kyuri Cho^†, and 12 more authors

   Energy & Environmental Science, 2026

2. 

   Quantitative Electrochemical Evaluation of Metal Nanocatalysts for Oxygen Exchange on Solid Oxide Cell Electrodes

   J. Kim^†, G. G. Yang^†, W. Lee^†, and 9 more authors

   Energy & Environmental Science, 2026

3. 

   Composite air electrodes based on BaCe0.7Zr0.1Y0.1Yb0.1O3−δ for reversible solid oxide cells

   Kwangho Park^†, WonJun Lee^†, Junghyun Park, and 9 more authors

   Nature Energy, 2026

4. 

   Angular relational knowledge distillation of machine learning interatomic potentials for scalable catalyst exploration

   Hyukjun Lim^†, Seokhyun Choung^†, Jinuk Moon, and 1 more author

   npj Computational Materials, 2026

2025

1. 

   From Atomic Motif to Realistic Single Atom Catalysts through Machine Learning Interatomic Potentials

   Seokhyun Choung^†, Miyeon Kim^†, Jinuk Moon^†, and 1 more author

   ACS Energy Letters, 2025

2. 

   CatBench framework for benchmarking machine learning interatomic potentials in adsorption energy predictions for heterogeneous catalysis

   Jinuk Moon, Uchan Jeon, Seokhyun Choung, and 1 more author

   Cell Reports Physical Science, Nov 2025

3. 

   Strategic Design of Oxophilic Dopants for Active and Durable Alkaline Hydrogen Evolution Reaction Under Seawater

   Hyeonjung Jung^†, Yechan Lee^†, Kyuri Cho^†, and 11 more authors

   Advanced Functional Materials, Oct 2025

4. 

   Quantity effect of heteroatom incorporation on the oxygen evolution mechanism in ruthenium oxide

   Hyunwoo Jun^†, Eunseo Kang^†, Jinuk Moon^†, and 9 more authors

   Chem, May 2025

2024

1. 

   Rise of machine learning potentials in heterogeneous catalysis: Developments, applications, and prospects

   Seokhyun Choung^†, Wongyu Park^†, Jinuk Moon^†, and 1 more author

   Chemical Engineering Journal, Jun 2024

2. 

   Theoretical tuning of local coordination environment of metal-nitrogen doped carbon catalysts for selective chlorine-evolution reaction

   Seokhyun Choung^†, Heejae Yang^†, Jinuk Moon, and 4 more authors

   Catalysis Today, Jan 2024

2023

1. 

   Unveiling the catalyst deactivation mechanism in the non-oxidative dehydrogenation of light alkanes on Rh (111): Density functional theory and kinetic Monte Carlo study

   Seokhyun Choung, Yoonho Kim, Jinuk Moon, and 3 more authors

   Catalysis Today, Mar 2023