An improved meta-heuristic algorithm for developing high-quality ReaxFF force fields of Fe/Ni transition metals and alloys
Mingming Shi, Xinli Jiang, Yujin Hu, Ling Ling, Xuelin Wang
Topics & Concepts
ReaxFFParticle swarm optimizationForce field (fiction)Molecular dynamicsMaxima and minimaMaterials scienceExtrapolationConvergence (economics)Mathematical optimizationAlgorithmComputer scienceMathematicsChemistryComputational chemistryInteratomic potentialEconomicsEconomic growthMathematical analysisArtificial intelligenceMachine Learning in Materials ScienceProtein Structure and DynamicsInjection Molding Process and Properties