Estimation of reactive fluxes in gradient stochastic systems using an analogy with electric circuits
The MaxFlux functional should be called the resistivity functional. A HamiltonJacobi approach for computing transition paths in collective variables. Conversion of the network of reactive channels into an electric circuit. Test on the Alanine-Dipeptide. Perfect agreement. Application to the problem of CO escape from Myoglobin.
electric circuit maxflux functional myoglobin hamiltonjacobi equation transition path theory alanine-dipeptide