Related papers: One Dimensional Mimicking of Electronic Structure:…
We consider two dimensional dispersions of droplets of isotropic phase in a liquid with an XY-like order parameter, tilt, nematic, and hexatic symmetries being included. Strong anchoring boundary conditions are assumed. Textures for a…
Nanochains of atoms, molecules and polymers have gained recent interest in the experimental sciences. This article contributes to an advanced mathematical modeling of the mechanical properties of nanochains that allow for heterogenities,…
Often, exotic phases appear in the phase diagrams between conventional phases. Their elementary excitations are of particular interest. Here, we consider the example of the ionic Hubbard model in one dimension. This model is a band…
We present results on the accurate one-dimensional (1D) modeling of simple atomic and molecular systems excited by strong laser fields. We use atomic model potentials that we derive from the corrections proposed earlier using the reduced…
An efficient parallelization approach to simulate optical properties of ensembles of quantum emitters in realistic electromagnetic environments is considered. It relies on balancing computing load of utilized processors and is built into…
We perform a numerical simulation of energy relaxation in three-dimensional electron glasses in the strongly localized regime at finite temperatures. We consider systems with no interactions, with long-range Coulomb interactions and with…
Motivated by recent experiments on colloidal systems with competing attractive and repulsive interactions, we simulate a two-dimensional system of colloids with competing interactions that can undergo fragmentation. In the absence of any…
The electric interaction between two nearby evolving electrons triggers the correlation between their waves and governs the operation of logical devices called Coulomb entanglers. Of technological interest in the presence of magnetic fields…
This thesis presents a two-layer uniform facet elastic object for real-time simulation based on physics modeling method. It describes the elastic object procedural modeling algorithm with particle system from the simplest one-dimensional…
While in principle exact, Kohn-Sham density functional theory -- the workhorse of computational chemistry -- must rely on approximations for the exchange-correlation functional. Despite staggering successes, present-day approximations still…
We calculate numerically the quasiparticle effective mass (m*) renormalization as a function of temperature and electron density in two- and three-dimensional electron systems with long-range Coulomb interaction. In two dimensions, the…
The interplay between strong Coulomb interactions and randomness has been a long-standing problem in condensed matter physics. According to the scaling theory of localization, in two-dimensional systems of noninteracting or weakly…
A system of confined charged electrons interacting via the long-range Coulomb force can form a Wigner crystal due to their mutual repulsion. This happens when the potential energy of the system dominates over its kinetic energy, i.e., at…
Explicit-electron force fields introduce electrons or electron pairs as semi-classical particles in force fields or empirical potentials, which are suitable for molecular dynamics simulations. Even though semi-classical electrons are a…
This paper proposes new ANOVA-based approximations of functions and emulators of high-dimensional models using either available derivatives or local stochastic evaluations of such models. Our approach makes use of sensitivity indices to…
Fermionic cold atoms in optical traps provide viable quantum simulators of correlation effects in electronic systems. For dressed Rydberg atoms in two-dimensional traps with out-of-plane dipole moments, a realistic model of the pairwise…
Electron microscopy is a powerful tool for studying the properties of materials down to their atomic structure. In many cases, the quantitative interpretation of images requires simulations based on atomistic structure models. These…
The energy minimization involved in density functional calculations of electronic systems can be carried out using an exponential transformation that preserves the orthonormality of the orbitals. The energy of the system is then represented…
Entangled quantum states in high-dimensional space show many advantages compared with entangled states in two-dimensional space. The former enable quantum communication with higher channel capacity, enable more efficient quantum-information…
Most active colloid experiments are quasi-2D. Here a 3D density-matched solution of active particles propelled and aligned with an AC electric field uniquely facilitates measurement of short and long-range particle-wall interactions.…