The finite difference approach to compute K consists in producing P -V data, and fitting the results with an equation of state (EoS). Widely performed experimentally, it is also within the reach of computational methods by running multiple MD simulations at various values of pressure or volume. This computational approach has been used on multiple materials such as molten salts, 18,65 ceramics 66 or silicates, and can be used with MD schemes ranging from ab initio to classical and reactive 67 force fields.