The article doesn't mention it, but HNers may be interested to know that a lot of the materials research behind batteries is done computationally. Numerical models are used to vet materials for desired properties, before having to physically test them.

The "Ceder Group" mentioned in the article has a cleverly-chosen name. While Dr. Ceder runs the group, its name also is an acronym for "Computational and Experimental Design of Emerging materials Research".