Bobby G. Sumpter

TL;DR: A field-theory to study charge regulation and local dielectric function in planar polyelectrolyte brushes is developed and it is revealed that the dipole moment of the ion-pairs formed as a result of counterion adsorption on the chain backbones play a key role in affecting the local dieLECTric function.

TL;DR: In this article, the collisional dynamics of polymer nanoparticles using molecular dynamics, with a particular focus on angular momentum effects, were investigated. But unlike zero impact parameter collisions discussed elsewhere, which are greatly weighted toward sticking collisions, the outcome of collisions with non-zero angular momentum show much greater variability, showing both reactive (where polymer chains are exchanged between particles) and purely scattering trajectories.

TL;DR: In this paper, a machine learning strategy for determining the effective interaction in condensed phases of matter using scattering is proposed, which can effectively enable quantification of interaction in highly correlated systems using scattering and diffraction experiments.

TL;DR: In this article, a multi-staged computational workflow that can be used to design and characterize silicon donor qubit systems with modeling and simulation has been presented, where quantum computational chemistry calculations with electrostatic field solvers are used to perform detailed simulations of a phosphorus dopant in silicon.

TL;DR: In this article, the authors used an analysis from semi-classical theory and nonlinear dynamics to study the trajectories generated for some simple polymer fragments and found that the resulting phase space structure exhibits a high degree of stable quasiperiodic motion.