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