Quantification of sampling uncertainty for molecular dynamics simulation: time-dependent diffusion coefficient in simple fluids (Q2374837)
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scientific article; zbMATH DE number 6660845
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| English | Quantification of sampling uncertainty for molecular dynamics simulation: time-dependent diffusion coefficient in simple fluids |
scientific article; zbMATH DE number 6660845 |
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Quantification of sampling uncertainty for molecular dynamics simulation: time-dependent diffusion coefficient in simple fluids (English)
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5 December 2016
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statistical error
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velocity autocorrelation function
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mean-squared displacement
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uncertainty quantification
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Gaussian process approximation
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self-diffusion
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0.7048190236091614
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0.6888606548309326
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0.683273196220398
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0.6745415329933167
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0.670772910118103
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