222 citations · 229 across the 18 of their papers we have counts for
11 papers · 2 filters
Optimizing Cross-Domain Transfer for Universal Machine Learning Interatomic Potentials
Jaesun Kim, Jinmu You, Yutack Park +11
Accurate yet transferable machine-learning interatomic potentials (MLIPs) are essential for accelerating materials and chemical discovery. However, most universal MLIPs overfit to…
A Computational Study for Screening High-Selectivity Inhibitors in Area-Selective Atomic Layer Deposition on Amorphous Surfaces
Gijin Kim, Purun-hanul Kim, Suk Gyu Hahm +4
Area-selective atomic layer deposition (AS-ALD) is an emerging technology in semiconductor manufacturing. However, accurately understanding inhibitor reactivity on surfaces remains…
Are diffusion models ready for materials discovery in unexplored chemical space?
Sanghyun Kim, Gihyeon Jeon, Seungwoo Hwang +4
While diffusion models are attracting increasing attention for the design of novel materials, their ability to generate low-energy structures in unexplored chemical spaces has not…
Discovery of oxide Li-conducting electrolytes in uncharted chemical space via topology-constrained crystal structure prediction
Seungwoo Hwang, Jiho Lee, Seungwu Han +2
Oxide Li-conducting solid-state electrolytes (SSEs) offer excellent chemical and thermal stability but typically exhibit lower ionic conductivity than sulfides and chlorides. This…
Atomistic insights into hydrogen migration in IGZO from machine-learning interatomic potential: linking atomic diffusion to device performance
Hyunsung Cho, Minseok Moon, Jaehoon Kim +6
Understanding hydrogen diffusion is critical for improving the reliability and performance of oxide thin-film transistors (TFTs), where hydrogen plays a key role in carrier modulat…
Etching-to-deposition transition in SiO/SiN using CHF ion-based plasma etching: An atomistic study with neural network potentials
Hyungmin An, Sangmin Oh, Dongheon Lee +4
Plasma etching, a critical process in semiconductor fabrication, utilizes hydrofluorocarbons both as etchants and as precursors for carbon film formation, where precise control ove…