60 citations · 261 across the 13 of their papers we have counts for
3 papers · 1 filter
Neural network approach to time-dependent dividing surfaces in classical reaction dynamics
Philippe Schraft, Andrej Junginger, Matthias Feldmaier +4
In a dynamical system, the transition between reactants and products is typically mediated by an energy barrier whose properties determine the corresponding pathways and rates. The…
Chemical dynamics between wells across a time-dependent barrier: Self-similarity in the Lagrangian descriptor and reactive basins
Andrej Junginger, Lennart Duvenbeck, Matthias Feldmaier +3
In chemical or physical reaction dynamics, it is essential to distinguish precisely between reactants and products for all time. This task is especially demanding in time-dependent…
Obtaining time-dependent multi-dimensional dividing surfaces using Lagrangian descriptors
Matthias Feldmaier, Andrej Junginger, Jörg Main +2
Dynamics between reactants and products are often mediated by a rate-determining barrier and an associated dividing surface leading to the transition state theory rate. This framew…