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A significant part of the thin layers of counter-ions adjacent to the exterior and interior surfaces of a cell membrane form quasi-two-dimensional (2D) layers of mobile charge. Collective charge density oscillations, known as plasmon modes,…
We investigate the possibility of band structure engineering in the recently predicted 2D layered form of blue phosphorus via an electric field (E$_z$) applied perpendicular to the layer(s). Using density functional theory, we study the…
Understanding how different classes of molecules move across biological membranes is a prerequisite to predicting a solute's permeation rate, which is a critical factor in the fields of drug design and pharmacology. We use biased Molecular…
Biological cells in soft materials can be modeled as anisotropic force contraction dipoles. The corresponding elastic interaction potentials are long-ranged ($\sim 1/r^3$ with distance $r$) and depend sensitively on elastic constants,…
The control of the dielectric and conductive properties of device-level systems is important for increasing the efficiency of energy- and information-related technologies. In some cases, such as neuromorphic computing, it is desirable to…
Atomistic simulations were performed on hydrated model lipid multilayers that are representative of the lipid matrix in the outer skin (stratum corneum). We find that cholesterol transfers easily between adjacent leaflets belonging to the…
We implement the replica exchange molecular dynamics algorithm to study the interactions of a model peptide (WALP-16) with an explicitly represented DPPC membrane bilayer. We observe the spontaneous, unbiased insertion of WALP-16 into the…
Bilayer graphene has drawn significant attention due to the opening of a band gap in its low energy electronic spectrum, which offers a promising route to electronic applications. The gap can be either tunable through an external electric…
Bioelectrical interfaces represent a significant evolution in the intersection of nanotechnology and biophysics, offering new strategies for probing and influencing cellular processes. These systems capitalize on the subtle but powerful…
The magic angle twisted bilayer systems give rise to many exotic phenomena in two-dimensional electronic or photonic platforms. Here, we study the twisted near-field energy radiation between graphene metasurfaces with nonequilibrium drifted…
In bilayer systems electron-hole (e-h) pairs with spatially separated components (i.e., with electrons in one layer and holes in the other) can be condensed to a superfluid state when the temperature is lowered. This article deals with the…
We investigate the effect of thermal fluctuations on the atomic and electronic structure of a twisted MoSe$_{2}$/WSe$_{2}$ heterobilayer using a combination of classical molecular dynamics and \textit{ab-initio} density functional theory…
Light-induced sliding ferroelectricity in two-dimensional van der Waals materials enables polarization control via relative layer motion. However, polarization switching occurs on the time scale of shear modes (tens of ps) and requires very…
We consider fermionic polar molecules in a bilayer geometry where they are oriented perpendicularly to the layers, which permits both low inelastic losses and superfluid pairing. The dipole-dipole interaction between molecules of different…
In twisted bilayer graphene, a unified understanding of the mechanisms governing temperature-dependent electronic spectra and thermodynamic properties remains controversial despite extensive theoretical efforts. Here, we present a…
A mesoscopic coarse-grain model for computationally-efficient simulations of biomembranes is presented. It combines molecular dynamics simulations for the lipids, modeled as elastic chains of beads, with multiparticle collision dynamics for…
The coupling of electric fields to the mechanics of lipid membranes gives rise to intriguing electromechanical behavior, as, for example, evidenced by the deformation of lipid vesicles in external electric fields. Electromechanical effects…
The nematic phase transition in electronic liquids, driven by Coulomb interactions, represents a new class of strongly correlated electronic ground states. We studied suspended samples of bilayer graphene, annealed so that it achieves very…
Common models for two-phase lipid bilayer membranes are based on an energy that consists of an elastic term for each lipid phase and a line energy at interfaces. Although such an energy controls only the length of interfaces, the membrane…
Water-phospholipid interactions at the lipid bilayer/water interfaces are of essential importance for the dynamics, stability and function of biological membrane, and are also strongly associated with numerous biological processes at the…