Browsing by Author "Kellman, Michael"

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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 ...
The Second Law in Quantum Pure State Thermodynamics: Making Heat Flow from Cold to Hot & Other Interesting Things

Lotshaw, Phillip (University of Oregon, 2020-09-24)

Recent theoretical and experimental work on the foundations of statistical mechanics and thermodynamics has shown that quantum pure states typically evolve to thermal equilibrium. We focus on formulating the second law ...
Theoretical Reconstruction of the Structure and Dynamics of Polymer Melts from Their Coarse-Grained Description

Lyubimov, Ivan (University of Oregon, 2012)

A theoretical formalism to reconstruct structural and dynamical properties of polymer liquids from their coarse-grained description is developed. This formalism relies on established earlier analytical coarse-graining of ...