73 citations · 73 across the 5 of their papers we have counts for
5 papers
electrochemically modeling a non-electrochemical system: hydrogen peroxide direct synthesis on palladium catalysts
Min-Cheol Kim, Sang Soo Han
Nonelectrochemical hydrogen peroxide direct synthesis (HPDS) under ambient conditions is an environmentally benign and energy-efficient process that produces a green oxidizer. Desp…
Accelerated Mapping of Electronic Density of States Patterns of Metallic Nanoparticles via Machine-Learning
Kihoon Bang, Byung Chul Yeo, Donghun Kim +2
Within first-principles density functional theory (DFT) frameworks, accurate but fast prediction of electronic structures of nanoparticles (NPs) remains challenging. Herein, we pro…
Identification of Crystal Symmetry from Noisy Diffraction Patterns by A Shape Analysis and Deep Learning
Leslie Ching Ow Tiong, Jeongrae Kim, Sang Soo Han +1
The robust and automated determination of crystal symmetry is of utmost importance in material characterization and analysis. Recent studies have shown that deep learning (DL) meth…
Slab Graph Convolutional Neural Network for Discovery of N2 Electroreduction Catalysts
Myungjoon Kim, Byung Chul Yeo, Sang Soo Han +1
The catalyst development for N2 electroreduction reaction (NRR) with low onset potential and high Faradaic efficiency is highly desired, but remains challenging. Machine learning (…
Pattern Learning Electronic Density of States
Byung Chul Yeo, Donghun Kim, Chansoo Kim +1
Electronic density of states (DOS) is a key factor in condensed matter physics and material science that determines the properties of metals. First-principles density-functional th…