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Free Energy Minimization and Multicomponent, Multi-Phase Lattice Boltzmann Simulations of Van Der Waals Fluid Mixtures
(North Dakota State University, 2018)
In this thesis, we develop a general framework for the lattice Boltzmann method to simulate multiphase systems with an arbitrary number of components. Theoretical expectations are easily visualized for binary mixtures, so ...
Guiding Self-Assembly of Functionalized Nanoparticles by Computational Modeling of Effective Interactions
(North Dakota State University, 2018)
Nanoparticles have attracted much attention because of their unusual physical properties, which allow them to be used in many practical applications. The self-assembly of nanocrystals into crystalline arrays can be facilitated ...
Computational Modeling of Polymer Crowding: Influence of Solvent Quality and Dimensionality on Conformations
(North Dakota State University, 2018)
The structure and function of polymers in confined environments, e.g., biopolymers in the cytoplasm, are affected by macromolecular crowding. To explore the influence of solvent quality and dimensionality on conformations ...