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Revision as of 00:12, 15 February 2024
scientific article
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English | Reactive Molecular Dynamics: Numerical Methods and Algorithmic Techniques |
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Reactive Molecular Dynamics: Numerical Methods and Algorithmic Techniques (English)
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7 May 2012
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reactive classical molecular dynamics
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bond order potential
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ReaxFF
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charge equilibration
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Krylov subspace solvers
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ILUT-based preconditioner
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