Denoising methods for thermomechanical decomposition for quasi-equilibrium molecular dynamics simulations

DOI10.1016/J.CMA.2011.03.004MaRDI QIDQ653751zbMATH OpenOpenAlexFDO

Authors Albert C. To, Yao Fu, Wing K. Liu

Publication date 19 December 2011

Published in Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.cma.2011.03.004

zbMATH Keywords

denoising methodmolecular dynamics simulationsquasi-equilibrium processthermomechanical decomposition

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25) Thermal effects in solid mechanics (74F05)

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Cites work

• A bridging domain method for coupling continua with molecular dynamics
• A finite temperature continuum theory based on interatomic potential in crystalline solids
• Adapting to Unknown Smoothness via Wavelet Shrinkage
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• Empirical Bayes selection of wavelet thresholds
• Entropy Numbers and Approximation Numbers in Function Spaces, II
• Fast parallel algorithms for short-range molecular dynamics
• scientific article; zbMATH DE number 412139 (Why is no real title available?)
• scientific article; zbMATH DE number 1465030 (Why is no real title available?)
• scientific article; zbMATH DE number 802858 (Why is no real title available?)
• scientific article; zbMATH DE number 3054885 (Why is no real title available?)
• Ideal spatial adaptation by wavelet shrinkage
• Minimax estimation via wavelet shrinkage
• Multiscale modeling of the dynamics of solids at finite temperature
• Needles and straw in haystacks: Empirical Bayes estimates of possibly sparse sequences
• On the Cauchy—Born Rule
• Rate of convergence of nonparametric estimates of maximum-likelihood type
• Ten Lectures on Wavelets
• Thermomechanical continuum representation of atomistic deformation at arbitrary size scales
• Time series. Data analysis and theory.
• Unconditional bases are optimal bases for data compression and for statistical estimation
• Wavelets with exponential localization

Cited in

(2)

• A concurrent multiscale method based on smoothed molecular dynamics for large-scale parallel computation at finite temperature
• Spatial filters for bridging molecular dynamics with finite elements at finite temperatures

Describes a project that uses

Uses Software

• EBayesThresh

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