We are currently feeding back optimal sites. But if these "optimal sites" lie on surfaces with a lower-energy, non-optimal sites, then it's kind of a moot point (i.e., there's less value in investigating that site).
We should develop a filter for our feedback loop that penalizes sites for having neighboring sites with lower, non-optimal adsorption energies.
And if we wanted to, we should be able to extend this to material sites, not just surfaces (if we wanted to simply look at heterogeneous nanoparticles instead of specific surfaces).
We are currently feeding back optimal sites. But if these "optimal sites" lie on surfaces with a lower-energy, non-optimal sites, then it's kind of a moot point (i.e., there's less value in investigating that site).
We should develop a filter for our feedback loop that penalizes sites for having neighboring sites with lower, non-optimal adsorption energies.
And if we wanted to, we should be able to extend this to material sites, not just surfaces (if we wanted to simply look at heterogeneous nanoparticles instead of specific surfaces).