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Coarse graining of multiple water molecules with intelligent dissipative particle dynamics

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Publication:6669801
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DOI10.1137/23M161937XMaRDI QIDQ6669801FDOQ6669801


Authors: Baocai Jing, Ting Ye, Huiqi Yin, Shuyuan Zhang Edit this on Wikidata


Publication date: 22 January 2025

Published in: Multiscale Modeling \& Simulation (Search for Journal in Brave)






zbMATH Keywords

machine learningcoarse grainingdissipative particle dynamicsmultiple-water


Mathematics Subject Classification ID

Mathematical modeling or simulation for problems pertaining to fluid mechanics (76-10)


Cites Work

  • Fast parallel algorithms for short-range molecular dynamics
  • An efficient cost scaling algorithm for the assignment problem
  • Stochastic modelling: replacing fast degrees of freedom by noise.
  • A note on hydrodynamics from dissipative particle dynamics
  • Uncertain minimum cost flow problem
  • The seeding algorithms for spherical \(k\)-means clustering
  • Intelligent dissipative particle dynamics: bridging mesoscopic models from microscopic simulations via deep neural networks






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