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Figure showing tunnelling dynamics in water hexamer

Research Areas

  • Ring-polymer molecular dynamics
  • Semiclassical instanton theory
  • Quantum-mechanical tunnelling in water clusters
  • Nonadiabatic quantum dynamics with classical trajectories
  • Nonadiabatic rate theory
  • Ultrafast dynamics of molecules

Latest News

Reactivity of triplet carbenes explained with a new nonadiabatic tunnelling mechanism

Instanton theory reveals a crossover between a sequential and a concerted tunelling mechanism.

Time Reversible MASH

MASH is now reversible!  

Spring Meeting Theoretical chemistry 2025

This year's meeting takes place in Bern on January 28, 2025.

Latest Publications

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