Ionization calculations using classical molecular dynamics

By performing an ensemble of molecular dynamics simulations, the model-dependent ionization state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimization framework based on the technique of thermodynamic integration. To illustrate the m...

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Bibliographic Details
Main Authors: Plummer, D, Svensson, P, Gericke, DO, Hollebon, P, Vinko, SM, Gregori, G
Format: Journal article
Language:English
Published: American Physical Society 2025