Reactive Molecular Dynamics: Numerical Methods and Algorithmic Techniques (Q2882806)

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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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