222 citations · 226 across the 6 of their papers we have counts for
3 papers · 1 filter
Agentic programs: an emerging form of scientific software in computational materials science
Yunsung Lim, Haekwan Jeon, Jaesun Kim +2
Computational materials science has traditionally delegated algorithmic tasks to computers while leaving scientific judgments to humans. We argue that recent LLM-based agent harnes…
Precipitate phase selection and grain boundary morphology in Cu-Ni-Si-Mn alloys: A machine-learning interatomic potential study
Aadil Fayaz Wani, Il-Seok Jeong, Haekwan Jeon +6
Alloys inevitably contain interphase boundaries, whose energetics govern nucleation processes and precipitate morphology. In Cu-Ni-Si alloys, Mn addition markedly changes grain bou…
A Lightweight Universal Machine-Learning Interatomic Potential via Knowledge Distillation for Scalable Atomistic Simulations
Sangmin Oh, Jinmu You, Jaesun Kim +4
We introduce a lightweight universal machine-learning interatomic potential (uMLIP), SevenNet-Nano, based on the graph neural network architecture SevenNet and enabled by a knowled…