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Systematic simulations and analysis of transition states using committor functions.

Enrico TrizioPeilin KangMichele Parrinello
Published in: Nat. Comput. Sci. (2024)
Keyphrases
  • numerical analysis
  • mathematical analysis
  • data analysis
  • real time
  • databases
  • real world
  • data mining
  • genetic algorithm
  • decision making
  • case study
  • pattern recognition
  • qualitative and quantitative
  • simulation model