Efficient energy conversion and storage requires deeper understanding of complex objects of nature. Among them are electrified solid / liquid interfaces. The properties of those objects largely determine a variety of processes taking place in batteries, industrial electrolysers, some type of capacitors, fuel cells, and other devices. However, the real-world electrified interfaces are complex multi-parametric systems; and the resulting performance of the materials and devices depends on numerous factors (see some example in the scheme below). Rational design and implementation of new generations of functional materials for energy conversion and storage, therefore, requires better fundamental understanding of these systems along with the ability to predict their properties accurately.