제 목: Computational Materials Science for Electrocatalysis

■ 연 사: 권순호 (POSTECH 신소재공학과 교수)

■ 일 시: 2026년 05월 11일(월) 오후 4시             

■ 장 소: W1(응용공학동) 2층 1318호

■ 호 스 트: 김동훈 교수님

■ Abstract : Electrochemical processes play a critical role in enabling sustainable energy solutions, and computational modeling has become an indispensable tool for understanding and designing these complex systems. In this seminar, I will walk through my research journey in multiscale modeling of electrochemical systems, illustrating how different time and length scales provide complementary insights into complex processes. In particular, I will introduce my recent work on simulating cyclic voltammetry (CV), one of the most widely used experimental techniques in electrochemistry, yet rarely modeled directly due to its inherent complexity. I will demonstrate how our simulations capture the two distinct regimes in CV — the equilibrium-dominated and steady-state reaction-dominated regimes — and emphasize the necessity of grand canonical approaches to accurately describe the latter.