Charging and discharging a supercapacitor in molecular simulations.

As the world moves more toward unpredictable renewable energy sources, better energy storage devices are required. Supercapacitors are a promising technology to meet the demand for short-term, high-power energy storage. Clearly, understanding their charging and discharging behaviors is essential to improving the technology.

A simple efficient algorithm for molecular simulations of constant potential electrodes.

Increasingly, society requires high power, high energy storage devices for applications ranging from electric vehicles to buffers on the electric grid. Supercapacitors are a promising contribution to meeting these demands, though there still remain unsolved practical problems. Molecular dynamics simulations can shed light on the relevant molecular level processes in electric double layer capacitors, but these simulations are computationally very demanding.