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Quasi-particle interference (QPI) is a powerful tool to characterize the symmetry of the superconducting order parameter in unconventional superconductors, by mapping the spatial dependence of elastic tunneling of electrons between the tip…
In this paper, we investigate the energy minimization model of the ensemble Kohn-Sham density functional theory for metallic systems, in which a pseudo-eigenvalue matrix and a general smearing approach are involved. We study the invariance…
We study the quantum simulation of mixed quantum-semiclassical (MQS) systems, of fundamental interest in many areas of physics, such as molecular scattering and gravitational backreaction. A basic question for these systems is whether…
We present a review of quasi-two-dimensional organic superconductors. These systems exhibit many interesting phenomena, including reduced dimensionality, strong electron-electron and electron-phonon interactions and the proximity of…
Rate-effects in sheared disordered solids are studied using molecular dynamics simulations of binary Lennard-Jones glasses in two and three dimensions. In the quasistatic (QS) regime, systems exhibit critical behavior: the magnitudes of…
We review the electronic and magnetic properties of the quinternary full Heusler alloys of the type Co$_2$[Cr$_{1-x}$Mn$_x$][Al$_{1-y}$Si$_y$] employing three different approaches : (i) the coherent potential approximation (CPA), (ii) the…
The main purpose of thispaper is to show that composite quantum-like (QL) systems can closely mimic the separable states of quantum systems, and that suitable physical systems exhibiting these states exist. It is shown that QL graphs can…
3D Dirac semimetals with square-net non-symmorphic symmetry, such as ternary ZrXY (X=Si, Ge; Y=S, Se, Te) compounds, have attracted significant attention owing to the presence of topological nodal lines, loops, or networks in their bulk.…
A novel approach for GW-based calculations of quasiparticle properties for finite systems is presented, in which the screened interaction is obtained directly from a linear response calculation of the density-density correlation function.…
Accurate band offsets are essential for predictive continuum modeling of nanostructures such as quantum wells and quantum dots formed in strained Si/Si1-xGex and Ge/Si1-xGex heterostructures. Experimental offset data for these systems…
Using a strategy that may be applied in theory or in experiments, we identify the regime in which a model binary soft matter mixture forms quasicrystals. The system is described using classical density functional theory combined with…
Calculations of excited states in Green's function formalism often invoke the diagonal approximation, in which the quasiparticle states are taken from a mean-field calculation. Here, we extend the stochastic approaches applied in the…
This manuscript explores a variational quantum formulation for nonlinear elasticity problems arising from hyperelastic material models, targeting near term noisy intermediate scale quantum (NISQ) devices. The approach leverages the…
We developed a new physical model to predict macroscopic properties of inorganic molten systems using a realistic description of inter-atomic interactions. Unlike the conventional approach, which tends to overestimate viscosity by several…
We present a detailed review of large-scale structure (LSS) study using the discrete wavelet transform (DWT). After describing how one constructs a wavelet decomposition we show how this bases can be used as a complete statistical…
The energy spectrum of topological semimetals contains protected degeneracies in reciprocal space that correspond to Weyl, Dirac, or multifold fermionic states. To exploit the unconventional properties of these states, one has to access the…
Electronic interactions present in material compositions close to the superconducting dome play a key role in the manifestation of high-Tc superconductivity. In many correlated electron systems, however, the parent or underdoped states…
Existing techniques for synthesizing gauge fields are able to bring a two-dimensional cloud of harmonically trapped bosonic atoms into a regime where the occupied single-particle states are restricted to the lowest Landau level (LLL).…
It is essential to know the arrangement of the atoms in a material in order to compute and understand its properties. Searching for stable structures of materials using first-principles electronic structure methods, such as density…
According to theoretical predictions the quasicrystalline (QC) electronic density of states (DOS) must have a rich and fine spiky structure which actually has resulted elusive. The problem with its absence may be related to poor structural…