222 citations · 223 across the 6 of their papers we have counts for
4 papers · 1 filter
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…
Unveiling defect motifs in amorphous GeSe using machine learning interatomic potentials
Minseok Moon, Seungwoo Hwang, Jaesun Kim +3
Ovonic threshold switching (OTS) selectors play a critical role in non-volatile memory devices because of their nonlinear electrical behavior and polarity-dependent threshold volta…
An efficient forgetting-aware fine-tuning framework for pretrained universal machine-learning interatomic potentials
Jisu Kim, Jiho Lee, Sangmin Oh +5
Pretrained universal machine-learning interatomic potentials (MLIPs) have revolutionized computational materials science by enabling rapid atomistic simulations as efficient altern…