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In the first two papers in this series, we developed new shifted potential (SP), gradient shifted force (GSF), and Taylor shifted force (TSF) real-space methods for multipole interactions in condensed phase simulations. Here, we discuss the…
The ability to tune electronic structure in twisted stacks of two-dimensional (2D) materials has motivated the exploration of similar moir\'e physics with twisted oxide membranes. Due to the intrinsic three-dimensional nature of bonding in…
For the past decade, droplet interface bilayers (DIBs) have had an increased prevalence in biomolecular and biophysical literature. However, much of the underlying physics of these platforms are poorly characterized. To further the…
Manipulating the shape of nanoscale objects in a controllable fashion is at the heart of designing materials that act as building blocks for self-assembly or serve as targeted drug delivery carriers. Inducing shape deformations by…
In the limit of small concentrations and weak applied electric fields, the dielectric permittivity of suspensions of arbitrarily shaped, shelled and charged particles is calculated. It is proved that the dielectric behavior at low…
Ionic liquids (IL) are promising electrolytes for electrochemical applications due to their remarkable stability and high charge density. Molecular dynamics simulations are essential for better understanding the complex phenomena occurring…
Electrowetting is a commonly used tool to manipulate sessile drops on hydrophobic surfaces. By applying an external voltage over a liquid and a dielectric-coated surface, one achieves a reduction of the macroscopic contact angles for…
In this paper, a review on dielectric mixtures and the importance of the numerical simulations of dielectric mixtures are presented. It stresses on the interfacial polarization observed in mixtures. It is shown that this polarization can…
In this paper, density functional theory calculations are used to explore the electronic and atomic reconstruction at interfaces between III-III/I-V oxides. In particular, at these interfaces, two dimensional electron gases (2DEGs) with…
This paper presents a mathematical framework for a flexible pressure-sensor model using electrical impedance tomography (EIT). When pressure is applied to a conductive membrane patch with clamped boundary, the pressure-induced surface…
Understanding the electrical double layer (EDL), i.e, the distribution of electrolyte at an electrified interface, in concentrated electrolytes is important for various technologies, such as supercapacitors, batteries and electrocatalysis.…
We study the motion of charged particles constrained to arbitrary two-dimensional curved surfaces but interacting in three-dimensional space via the Coulomb potential. To speed-up the interaction calculations, we use the parallel compute…
A solid ionic conductor with cation conductivity in the interelectrode region is studied. Due to their large size, the anions are considered fixed and form a homogeneous neutralizing electric background. The model can be used to describe…
Understanding the response of the surface of metallic solids to external electric field sources is crucial to characterize electrode-electrolyte interfaces. Continuum electrostatics offer a simple description of the induced charge density…
Scale-up of flow-electrode capacitive deionization is hindered due to the reliance on thick brittle graphite current collectors. Inspired by developments of electrochemical technologies we present the use of flexible membrane electrode…
The discrete and charge-separated nature of matter - electrons and nuclei - results in local electrostatic fields that are ubiquitous in nanoscale structures and are determined by their shape, material, and environment. Such fields are…
Motivated to understand the behavior of biological filaments interacting with membranes of various types, we study a theoretical model for the shape and thermodynamics of intrinsically-helical filaments bound to curved membranes. We show…
We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…
A plethora of studies ranging from precision physics to quantum information employ ions, highly excited neutral atoms or polar molecules as tools. Motivated by the need for miniaturization, scalability and controllability, the particles are…
In this paper, two-dimensional periodic capillary-gravity waves travelling under the effect of a vertical electric field are considered. The full system is a nonlinear, two-layered and free boundary problem. The interface dynamics arises…