Related papers: An Algebraic Geometry Method for Calculating DOS f…
The density of states (DOS) is a spectral property of crystalline materials, which provides fundamental insights into various characteristics of the materials. While previous works mainly focus on obtaining high-quality representations of…
Using the AdS/CFT correspondence, we address the question of how to measure complicated space-time metrics using gauge theory probes. In particular, we consider the case of the 1/2 BPS geometries of type IIB supergravity. These geometries…
We introduce an algebraic multiscale method for two--dimensional problems. The method uses the generalized multiscale finite element method based on the quadrilateral nonconforming finite element spaces. Differently from the…
The liquid-gas density ratio is a key property of multiphase flow methods to model real fluid systems. Here, a chemical-potential multiphase lattice Boltzmann method is constructed to realize extremely large density ratios. The simulations…
The atomic-level control achievable in artificially-structured oxide superlattices provides a unique opportunity to explore interface phases of matter including high-density 2D electron gases. Electronic-structure calculations show that the…
In a quantizing magnetic field, the two-dimensional electron (2DEG) gas has a rich phase diagram with broken translational symmetry phases such as Wigner, bubble, and stripe crystals. In this paper, we derive a method to get the dynamical…
Real algebraic geometry is the study of semi-algebraic sets, subsets of $\R^k$ defined by Boolean combinations of polynomial equalities and inequalities. The focus of this thesis is to study quantitative results in real algebraic geometry,…
We implement an adaptive mesh algorithm for calculating the space and time dependence of the atomic density field during materials processing. Our numerical approach uses the systematic renormalization-group formulation of the phase field…
We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair correlation function, static structure factor, and momentum density of the ground state of the two-dimensional homogeneous electron gas. We…
We combined the bond order length strength and bond charge models and the topological concept to obtain the nonbonding, bonding, and antibonding states of the T type WTe$_2$/MoS$_2$ heterostructure.The energy band projection method and…
Hyperbolic lattices are a new type of synthetic quantum matter emulated in circuit quantum electrodynamics and electric-circuit networks, where particles coherently hop on a discrete tessellation of two-dimensional negatively curved space.…
The evaluation of the electrostatic potential is fundamental to the study of condensed phase systems. We discuss the calculation of the relevant lattice summations by Ewald-type techniques. A model charge density is introduced, that cancels…
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…
We calculate the density of states of a binary Lennard-Jones glass using a recently proposed Monte Carlo algorithm. Unlike traditional molecular simulation approaches, the algorithm samples distinct configurations according to…
A novel hybrid scheme is proposed. The {\it ab initio} LDA calculation is used to construct the Wannier functions and obtain single electron and Coulomb parameters of the multiband Hubbard-type model. In strong correlation regime the…
The structural, electronic, optical and thermodynamic properties of Mo2Ga2C are investigated using density functional theory (DFT) within the generalized gradient approximation (GGA). The optimized crystal structure is obtained and the…
The local density approximation (LDA) constructed through quantum Monte Carlo calculations of the homogeneous electron gas (HEG) is the most common approximation to the exchange-correlation functional in density functional theory. We…
We study the spectral density function of a two-dimensional electron liquid in a weak magnetic field, the filling factor $\nu\gg 1$. A hydrodynamic model for low-energy excitations of the liquid is developed. It is found that even at…
The symplectic tomograms of 2D Hermite--Gauss beams are found and expressed in terms of the Hermite polynomials squared. It is shown that measurements of optical-field intensities may be used to determine the tomograms of…
We present an algorithm to calculate the linear response of periodic systems in the time-dependent density functional thoery, using a real-space representation of the electron wave functions and calculating the dynamics in real time. The…