11 papers
Crystallization and arrest mechanisms of model colloids
Thomas K. Haxton, Lester O. Hedges, Stephen Whitelam
We performed dynamic simulations of spheres with short-range attractive interactions for many values of interaction strength and range. Fast crystallization occurs in a localized r…
High-resolution coarse-grained modeling using oriented coarse-grained sites
Thomas K. Haxton
We introduce a method to bring nearly atomistic resolution to coarse-grained models, and we apply the method to proteins. Using a small number of coarse-grained sites (about one pe…
Modeling sequence-specific polymers using anisotropic coarse-grained sites allows quantitative comparison with experiment
Thomas K. Haxton, Ranjan V. Mannige, Ronald N. Zuckermann +1
Certain sequences of peptoid polymers (synthetic analogs of peptides) assemble into bilayer nanosheets via a nonequilibrium assembly pathway of adsorption, compression, and collaps…
Competing thermodynamic and dynamic factors select molecular assemblies on a gold surface
Thomas K. Haxton, Hui Zhou, Isaac Tamblyn +5
Controlling the self-assembly of surface-adsorbed molecules into nanostructures requires understanding physical mechanisms that act across multiple length and time scales. By combi…
Common physical framework explains phase behavior and dynamics of atomic, molecular and polymeric network-formers
Stephen Whitelam, Isaac Tamblyn, Thomas K. Haxton +4
We show that the self-assembly of a diverse collection of building blocks can be understood within a common physical framework. These building blocks, which form periodic honeycomb…
Do hierarchical structures assemble best via hierarchical pathways?
Thomas K. Haxton, Stephen Whitelam
Hierarchically structured natural materials possess functionalities unattainable to the same components organized or mixed in simpler ways. For instance, the bones and teeth of mam…