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Updated: Oct 30, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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A Coupling Framework for Multi-Domain Modelling and Multi-Physics Simulations

Dario Amirante1, Vlad Ganine1, Nicholas J Hills1

  • 1Thermo-Fluid Systems UTC, University of Surrey, Guildford GU2 7XH, UK.

Entropy (Basel, Switzerland)
|July 2, 2021
PubMed

Keywords:
code couplingconjugate heat transferoverset

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