The research interests of the ENS theoretical chemistry group include:
- Chemical reaction dynamics and processes in solution, in biomolecules and at interfaces
- Vibrational, rotational, electronic energy flow in condensed phases
- Theory and simulation of nonlinear vibrational spectroscopies, including nuclear quantum effects
- Renewable energy, environmental and astrobiological reactions and processes
- Reactivity and thermodynamic properties in confinement and in extreme conditions
- Surface chemistry of metals and two-dimensional materials
- Method developments for molecular-level chemistry in solution, at interfaces and in biomolecules, including artificial intelligence and drug design