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An improved reactive force field parameter optimization framework based on simulated annealing and particle swarm optimization algorithms

Qinhao Sun, Jinhuan Zhong, Pengfei Shi, Huajie Xu, Yang Wang

2025Computational Materials Science13 citationsDOI

Topics & Concepts

Simulated annealingParticle swarm optimizationMulti-swarm optimizationMetaheuristicMathematical optimizationAlgorithmComputer scienceForce field (fiction)Swarm behaviourOptimization algorithmMaterials scienceBiological systemMathematicsArtificial intelligenceBiologyMachine Learning in Materials ScienceFuel Cells and Related MaterialsThermal properties of materials
An improved reactive force field parameter optimization framework based on simulated annealing and particle swarm optimization algorithms | Litcius