Single molecular electronics.
The smallest possible electronic devices — single molecules wired between two electrodes — let us study quantum transport at its most fundamental scale. Insights here translate into novel sensors, switches and memory primitives.
Quantum transport at the molecular limit
Predicting current-voltage characteristics of single-molecule junctions using non-equilibrium Green's functions (NEGF) coupled with density functional theory.
Functional motifs
Switching, rectification, thermoelectric response, and spin-filtering in molecular junctions — designed deliberately by varying anchor groups, backbone, and gating.
Sensors and beyond
Single-molecule sensors that respond to chemical environment, mechanical strain, or light — paving the way for ultra- sensitive analytical devices.
Bridging chemistry and electronics
Tight collaboration with synthetic chemists keeps our calculations grounded in molecules that can actually be made and measured in the lab.