Computer simulations aid scientists in gauging battery performance

A crucial but poorly-studied parameter that dictates battery performance is the migration barrier. It determines the rate at which ions move through an electrode inside the battery, and ultimately the rate at which it charges or discharges. Because it is hard to measure the migration barrier in the lab, researchers typically use different computer simulations or approximations to quickly predict migration barrier values. However, very few of these simulations have been experimentally verified so...