ELI5: Explain Like I'm 5

Computational chemistry

Computational chemistry is a way of using math and computers to try to figure out things about molecules, which are really small pieces that make up things we can see. Computers can help us calculate things about molecules that we couldn't do the math for without them. Chemists can tell computers to figure out the shape and size of a molecule and what kind of properties it has, like how sticky it is or how well it can mix with something else. This helps scientists and engineers design new medicines, new ways to make energy, or even new materials.