Classical Force Fields Sample Clauses

Classical Force Fields. ‌ Classical potentials describe interactions in the system by function parameterisation using either experimental or ab initio calculation results. Due to their computational efficiency, atomistic systems containing millions of particles are able to be investigated. Classical potentials have been widely used over the years and found applications for studying bulk defects, vacancies or amorphous phases, etc. More than that, they also have extensive applications in simulating bio-chemical materials. In material simulations, there are a number of commonly used classical potentials, such as Xxxxxxx-Xxxxx potential, Xxxxxxxxxx-Xxxxx potential, bond-order Tersoff potentials and environment-dependent inter-atom potentials (EDIP), etc. In the following, taking Silicon as an example, I will give a review of them.