Nicholas Sherck

Cellulose acetate (CA), a prominent water-soluble derivative of cellulose, is a promising biodegradable ingredient that has applications in films, membranes, fibers, drug delivery, and more. In this work, we present...

The critical micelle concentration (CMC) is a crucial parameter in understanding the self-assembly behavior of surfactants. In this study, we combine simulation and experiment to demonstrate the predictive capability of...

The self-assembly and phase separation of mixtures of polyelectrolytes and surfactants are important to a range of applications, from formulating personal care products to drug encapsulation. In contrast to systems...

Hypothesis: The computational study of surfactants and self-assembly is challenging because 1) models need to reflect chemistry-specific interactions, and 2) self-assembled structures are difficult to equilibrate with conventional molecular dynamics....

Polymer formulations possessing mesostructures or phase coexistence are challenging to simulate using atomistic particle-explicit approaches due to the disparate time and length scales, while the predictive capability of field-based simulations...

We introduce a powerful, widely applicable approach to characterizing polymer conformational distributions, specifically the end-to-end distance distributions, (), accessed through double electron-electron resonance (DEER) spectroscopy in conjunction with molecular dynamics...

Achieving thermodynamic faithfulness and transferability across state points is an outstanding challenge in the bottom-up coarse graining of molecular models, with many efforts focusing on augmenting the form of coarse-grained...