• Publications
  • Influence
Computational linear rheology of general branch-on-branch polymers
We present a general algorithm for predicting the linear rheology of branched polymers. While the method draws heavily on existing theoretical understanding of the relaxation processes in entangled
Linking Models of Polymerization and Dynamics to Predict Branched Polymer Structure and Flow
This work presents a predictive scheme connecting the topological structure of highly branched entangled polymers, with industrial-level complexity, to the emergent viscoelasticity of the polymer melt, and provides a window onto the molecular processes responsible for the optimized rheology of these melts.
Nanoscale mechanical probing of supported lipid bilayers with atomic force microscopy.
The experimental AFM force curves from coexisting liquid ordered and liquid disordered domains in three-component lipid bilayers are well described by the model, which provides κ(A) in agreement with literature values.
In Silico Molecular Design, Synthesis, Characterization, and Rheology of Dendritically Branched Polymers: Closing the Design Loop.
This work describes for the first time, the in silico design, synthesis, and characterization of an architecturally complex, branched polymer with the optimal rheological properties for such structure-property correlation studies.
Monte Carlo Simulation for the Structure of Polyolefins Made with Two Metallocene Catalysts in a Batch Reactor
The synthesis of polyolefins with two metallocene catalysts is explored via a simple Monte Carlo simulation in the two cases of a batch and a semibatch reactor. The algorithm we develop can be
Fast cholesterol flip-flop and lack of swelling in skin lipid multilayers.
It is found that cholesterol transfers easily between adjacent leaflets belonging to the same bilayer via fast orientational diffusion (tumbling) in the inter-leaflet disordered region, while at the same time there is a large free energy cost against swelling.
We have studied the ordering of a two-dimensional charge-stabilized colloidal system in the presence of a stationary one-dimensionally modulated laser field formed by the superposition of two
Water permeation through stratum corneum lipid bilayers from atomistic simulations
Stratum corneum, the outermost layer of skin, consists of keratin filled rigid non-viable corneocyte cells surrounded by multilayers of lipids. The lipid layer is responsible for the barrier
The physics of stratum corneum lipid membranes
The nature of the tail packing in the gel-like phase, the hydrogen bond network among head groups, the bending moduli expected for leaflets comprising SC lipids and the conformation of very long ceramide lipids in multi-bilayer lipid assemblies are addressed.