Browsing by Subject "Molecular dynamics"

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Computational Studies of Environmentally Important Processes at Aqueous Interfaces

Shamay, Shachar (University of Oregon, 2012)

Undoubtedly, water is the most abundant and important molecular liquid and is likely the most necessary for life on Earth. The pursuit of understanding water's properties and behaviors has placed it in a unique scientific ...
Multiscale Modeling and Thermodynamic Consistency between Soft-Particle Representations of Macromolecular Liquids

McCarty, James (University of Oregon, 2014-06-17)

Coarse-graining and multi-scale approaches are rapidly becoming important tools for computer simulations of large complex molecular systems. Such theoretical models are powerful tools because they allow one to probe the ...