Glossary

There are multiple words which are nice to know in the context of object oriented programming and kinetic Monte Carlo Simulations:

• Instantiate: the act of creating/constructing a specific object by calling the constructur __init__() of a class.

• Event: a type of reaction that happens at a specific site.

• Turnover frequency: the number of products formed per site and second.

• Coordination number: the number of nearest neighbor sites to an atom. A bulk face centered cubic atom has a coordination number of 12, whereas a (111) atom has 9.

• Superbasin: a set of states connected by fast reversible events.

• Coverage: a fraction of the system-sites that are occupied by either any species or a specific species.