Learning

Applying DFT to Electrochemical Systems

Quantum Mechanics and Electronic Structure Basics → Practical DFT Workflow

This learning path guides graduate students through the fundamentals of density functional theory (DFT) and its application to electrochemical interfaces. It covers surface energetics, adsorption, solvation models, and the computational hydrogen electrode, culminating in the analysis of catalytic activity. The path emphasizes practical skills for computational electrochemistry research.