Quantifying ionic transport properties in materials is crucial in a wide variety of applications, such as molecular & protein biology , energy , chemical reactions , and solid mechanics. The advancement of computer hardware, theoretical models, and suitable software that scale and parallelize with available computing resources, have enabled the evaluation of ionic transport in solid-state materials. A widely used atomistic simulation technique to probe kinetic properties is molecular dynamics (MD), which propagates the state of a given system as a function of time, where individual particles (atoms) interact via Newton's laws of motion. MD has been implemented in a wide variety of software packages , where the accuracy of MD is dependent on the accuracy of force evaluations. Forces acting on atoms in a MD simulation is accessed from accurate (but expensive) first principles calculations, or inexpensive (and less accurate) interatomic potentials (i.e., force fields).