68 citations · 68 across the 4 of their papers we have counts for
4 papers
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…
Machine-Learning-Accelerated Surface Exploration of Reconstructed BiVO(010) and Characterization of Their Aqueous Interfaces
Yonghyuk Lee, Taehun Lee
Understanding the semiconductor-electrolyte interface in photoelectrochemical (PEC) systems is crucial for optimizing stability and reactivity. Despite the challenges in establishi…
B dopant evolution in Pd catalysts after H evolution/oxidation reaction in alkaline environment
Se-Ho Kim, Su-Hyun Yoo, Leonardo Shoji Aota +4
Introduction of interstitial dopants has opened a new pathway to optimize nanoparticle catalytic activity for, e.g., hydrogen evolution/oxidation and other reactions. Here, we disc…
IrO2 Surface Complexions Identified Through Machine Learning and Surface Investigations
Jakob Timmermann, Florian Kraushofer, Nikolaus Resch +11
A Gaussian Approximation Potential (GAP) was trained using density-functional theory data to enable a global geometry optimization of low-index rutile IrO2 facets through simulated…