Brommer, PeterKiselev, AlexanderSchopf, DanielBeck, PhilippRoth, JohannesTrebin, Hans-Rainer2024-12-032024-12-0320151361-651X0965-03931914037618http://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-153792http://elib.uni-stuttgart.de/handle/11682/15379http://dx.doi.org/10.18419/opus-15360Force matching is an established technique to generate effective potentials for molecular dynamics simulations from first-principles data. This method has been implemented in the open source code potfit. Here, we present a review of the method and describe the main features of the code. Particular emphasis is placed on the features added since the initial release: interactions represented by analytical functions, differential evolution as optimization method, and a greatly extended set of interaction models. Beyond the initially present pair and embedded-atom method potentials, potfit can now also optimize angular dependent potentials, charge and dipolar interactions, and electron-temperature-dependent potentials. We demonstrate the functionality of these interaction models using three example systems: phonons in type I clathrates, fracture of α-alumina, and laser-irradiated silicon.eninfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/3.0/530article2023-11-14