Kinetic Monte Carlo - Time-dependent Algorithms

Time-dependent Algorithms

If the rates are time dependent, step 8 has to be modified by (Prados 1997):

.

The reaction (step 5) has to be chosen after this by

Another very similar algorithm is called the First Reaction Method (FRM). It consists of choosing the first-occurring reaction, meaning to choose the smallest time, and the corresponding reaction number i, from the formula

,

where the are N random numbers.