First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems

Chemistry

• First Principle 100%
• Quantum Dynamics 100%
• Proton Transfer 75%
• Excited State 50%
• Time-Dependent Density Functional Theory 50%
• Electron Transport 25%
• Electron Transfer 25%
• Nonequilibrium 25%
• Silicon 25%
• Hydrogen Bonding 25%
• Solar Energy Conversion 25%
• Photosynthesis 25%
• Density Functional Theory Approaches 25%
• Hydroxybenzaldehyde 25%

Material Science

• Density 100%
• Silicon 50%
• Electron Transfer 50%
• Hydrogen Bonding 50%
• First Principle Simulation 50%

Keyphrases

• Silicon(111) 20%