Simulations of absorbing surfaces can take a very long time because typically a very small microscopic time step is needed. As identified in the AcCoRD journal paper, it would be good to consider whether we can incorporate a intra-step surface reaction probability that accounts for hitting the surface during the step, even if the molecule's trajectory did not cross the surface. Such a probability could potentially enable a dramatic efficiency in the corresponding simulation run time.
Simulations of absorbing surfaces can take a very long time because typically a very small microscopic time step is needed. As identified in the AcCoRD journal paper, it would be good to consider whether we can incorporate a intra-step surface reaction probability that accounts for hitting the surface during the step, even if the molecule's trajectory did not cross the surface. Such a probability could potentially enable a dramatic efficiency in the corresponding simulation run time.