2 papers
cond-mat.mtrl-sci2025
Fine-Tuning Bulk-oriented Universal Interatomic Potentials for Surfaces: Accuracy, Efficiency, and Forgetting Control
Jaekyun Hwang, Taehun Lee, Yonghyuk Lee +1
Accurate prediction of surface energies and stabilities is essential for materials design, yet first-principles calculations remain computationally expensive and most existing inte…
cond-mat.mtrl-sci2024
An atomic-scale view at Fe4N as hydrogen barrier material
Aleksander Albrecht, Sang Yoon Song, Chang-Gi Lee +9
Hydrogen, while a promising sustainable energy carrier, presents challenges such as the embrittlement of materials due to its ability to penetrate and weaken their crystal structur…