Systems of colloids coated with high-information polymers are powerful tools for designing crystal lattice with tailorable properties or studying the fundamentals of crystallization. By changing the colloid-colloid interaction strength or colloid shape, different types of lattices can be assembled. In this thesis, I present novel coarse-grained models to describe high-information...
The goal of this dissertation was to elucidate the coalescence of vacancies in the cubic polytype of silicon carbide in a nuclear reactor relevant system. Large-scale empirical potential atomistic simulations were employed and the exploration of long time-scale behavior was performed through a new application of the parallel replica dynamics...
Polymers and polyelectrolytes are ideal tools for the development of novel self-assembled materials. The ability to control the length-scales of self-assembly, and thus the properties, for soft materials lies in the understanding and subsequent manipulation of competing intermolecular interactions, such as hydrophobicity, hydrogen bonding, van der Waals, electrostatics. In this...
I present research in systems of biomedical relevance consisting of agents near or com- prising surfaces using computational approaches. The research topics include formation of bacterial biofilms, behavior of charged species near stacked, like-charged lamellae, and the the conformational behavior of lamellae with strong self-attraction.
In chapter 2, I present...