Author

Ki Chul Kim

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Open access Aug 2026

Quantum‐Trained AI Enables Inverse Design of Organic Frontier Orbitals at Billion‐Scale

ABSTRACT Frontier orbital energies govern charge transfer, energy‐level alignment, and optoelectronic performance in organic molecules, yet their prediction across vast chemical spaces remains challenging because they arise from coupled effects of functionality, conjugation, and topology. In this study, we develop an i...

Yeongnam Ko, Se Jin Kim, Ki Chul Kim · Advancement of science · 0 citations

Open access Sep 2026

Metallic–Dissolution Triggered Defective NiCoAl‐CuO Electrocatalyst for Enhanced Ethanol Oxidation Reaction With Precisely Tuned Reaction Pathway

Replacing the sluggish anodic oxygen evolution reaction (OER) with value‐added processes like the ethanol oxidation reaction (EOR) enhances the economic viability of water electrolysis. However, the rational design of low‐cost, durable electrocatalysts that selectively drive partial oxidation pathways under harsh a...

Ashish Gaur, Seung-Ho Yu, Mingi Kim et al. · Carbon Energy · 0 citations