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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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A many-body dissipative particle dynamics parametrisation scheme to study behaviour at air-water interfaces

Rachel L Hendrikse1, Carlos Amador1, Mark R Wilson1

  • 1Department of Chemistry, Durham University, Durham, DH1 3LE, UK. rachel.hendrikse@durham.ac.uk.

Soft Matter
|May 10, 2023
PubMed

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