cambridge
sdsc
grad

Hybrid QM/MM Methods

  • Conventional QM/MM techniques
  • Adaptive buffered force QM/MM method
qmmm

PMFs and CVs

  • Potential of mean force techniques
  • Reaction coordinates and order parameters
pmf

Applications

  • Electron transfer processes in gas phase
  • Reactions in (water) solution
  • Reactions in enzymatic environment
app

Partner

Institutions

 

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