ACCELERATING CONVERGENCE OF MOLECULAR DYNAMICS-BASED STRUCTURAL RELAXATION (Q3025087)

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ACCELERATING CONVERGENCE OF MOLECULAR DYNAMICS-BASED STRUCTURAL RELAXATION
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    ACCELERATING CONVERGENCE OF MOLECULAR DYNAMICS-BASED STRUCTURAL RELAXATION (English)
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    4 July 2005
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    Structural optimization
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    molecular dynamics relaxation
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    time step adaptation
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    spectral estimation
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    Lanczos algorithms
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