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We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorously joins an electron density-functional for the electrons of…
We introduce an orbital free electron density functional approximation based on alchemical perturbation theory. Given convergent perturbations of a suitable reference system, the accuracy of popular self-consistent Kohn-Sham density…
The ground state of a microcavity polariton Bose-Einstein condensate is determined by considering experimentally tunable parameters such as excitation density, detuning, and ultraviolet cutoff. During a change in the ground state of…
We present analytical expressions and numerical illustrations for the ground-state density distribution of an ideal gas of spin-polarized fermions moving in two dimensions and driven to rotate in a harmonic well of circular or elliptical…
We investigate the thermodynamic properties of a polyelectrolyte solution in a presence of {\it multivalent} salts. The polyions are modeled as rigid cylinders with the charge distributed uniformly along the major axis. The solution,…
Five parameters of a model of a polymer electrolyte membrane fuel cell cathode (the porosity of the gas diffusion layer, the porosity of the catalyst layer, the exchange current density of the oxygen reduction reaction, the effective ionic…
We derive and discuss expressions for the temperature-dependent electrostatic polarizabilities of off-center ions holding good under various experimental conditions. At low temperatures and electric-field strengths, all of them reasonably…
Energy structure of the Peierls gap in orthorhombic TaS$_3$ is examined by spectral study of photoconduction. The gap edge and energy levels inside the Peierls gap are observed. The amplitude of the energy levels is found to depend on both…
We find novel polar orders that yield electron (e-) and hole (h+) gas and depend on surface terminations, using density functional theory (DFT) that, unlike existing reports, relaxed all the ion positions of ATiO3 having spontaneous…
We define topological invariants in terms of the ground states wave functions on a torus. This approach leads to precisely defined formulas for the Hall conductance in four dimensions and the topological magneto-electric $\theta$ term in…
We study the two-dimensional electron gas in a magnetic field at filling fraction $\nu=\frac{1}{2}$. At this filling the system is in a gapless state which can be interpreted as a Fermi liquid of composite fermions. We construct trial wave…
In biological and synthetic materials, many important processes involve charges that are present in a medium with spatially varying dielectric permittivity. To accurately understand the role of electrostatic interactions in such systems, it…
Nonlinear thermoelastic systems play a crucial role in understanding thermal conductivity, stresses, elasticity, and temperature interactions. This research focuses on finding solutions to these systems in their fractional forms, which is a…
Hypotheses: To correctly predict the aggregation number and size of wormlike micelles from ionic surfactants, the molecular-thermodynamic theory has to calculate the free energy per molecule in the micelle with accuracy better than 0.01 kT,…
Generalizing the classical Thomson problem to the quantum regime provides an ideal model to explore the underlying physics regarding electron correlations. In this work, we systematically investigate the combined effects of the geometry of…
We study the energy spectrum and electronic properties of two-dimensional electron gas in a periodic magnetic field of zero average with a symmetry of triangular lattice. We demonstrate how the structure of electron energy bands can be…
Thermodynamic properties of matter are conveniently expressed as functional relations between variables known as equations of state. Here we experimentally determine the compressibility, density and pressure equations of state for an…
Physically assembled gels have promising applications in many fields because of their tunable mechanical properties. Here, we report the mechanical properties as a function of polymer volume fraction ($\phi$) for a physical gel system…
It is known that homogeneous distribution of particles in Coulomb-like systems can be unstable, and spatially inhomogeneous structures can be formed. A simple method for describing such inhomogeneous systems and obtaining spacial…
We develop a clear theoretical description of radial swelling in virus-like particles which delineates the importance of electrostatic contributions to swelling in absence of any conformational changes. The model couples the elastic…