ACCELERATING CONVERGENCE OF MOLECULAR DYNAMICS-BASED STRUCTURAL RELAXATION (Q3025087): Difference between revisions
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Revision as of 12:20, 10 June 2024
scientific article
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English | 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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