Charge Transfer

The theoretical study of electron transfer encompasses a wide range of phenomena, from simple redox reactions to complex processes in biological systems and materials science.

Problems of interest

• Accurate electron transfer rate predictions in large molecules
• Vibronic effects on electron transfer rates
• Ciral-induced spin selectivity
• Electron transfer in strongly coupled systems
• Ab-initio modeling of electrochemistry / charge transfer at interfaces
• Long-range electron transfer
• Designing reactive force fields for charge-transfer reactions