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Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…
We study the capacity of entanglement as an alternative to entanglement entropies in estimating the degree of entanglement of quantum bipartite systems over fermionic Gaussian states. In particular, we derive the exact and asymptotic…
This paper presents an analytical formulation for correcting the diffraction associated to the second harmonic of an acoustic wave, more compact than that usually used. This new formulation, resulting from an approximation of the correction…
We adopt an atomistic pseudopotential description of the electronic structure of self-assembled, lens shaped InAs quantum dots within the ``linear combination of bulk bands'' method. We present a detailed comparison with experiment,…
A path integral formulation is developed to study the spectrum of radiation from a perfectly reflecting (conducting) surface. It allows us to study arbitrary deformations in space and time. The spectrum is calculated to second order in the…
Hadwiger integrals employ the intrinsic volumes as measures for integration of real-valued functions. We provide a formula for the expected values of Hadwiger integrals of Gaussian-related random fields. The expected Hadwiger integrals of…
The first analytic topologically non-trivial solutions in the (3+1)-dimensional gauged non-linear sigma model representing multi-solitons at finite volume with manifest ordered structures generating their own electromagnetic field are…
The construction of modified equations is an important step in the backward error analysis of symplectic integrator for Hamiltonian systems. In the context of partial differential equations, the standard construction leads to modified…
The methods of non-equilibrium thermodynamics of systems with an interface have been applied to the study of transport processes in semiconductor junctions. A complete phenomenological model for drift-diffusion processes in a junction has…
First principles calculations based on density functional theory are having an incerasing impact on our understanding of molecule-surface interactions. For example, calculations of the multi-dimensional potential energy surface have…
In this paper we present a new multi-scale simulation scheme for next-generation electronic design automation for nano-electronics. The scheme features a combination of the first-principles quantum mechanical calculation, semi-classical…
A variational Perturbation theory based on the functional integral approach is formulated for many-particle systems. Using the variational action obtained through Jensen-Peierls' inequality, a perturbative expansion scheme for the…
The Hamiltonian dynamics of a compressible inviscid fluid is formulated as a gauge theory. The idea of gauge equivalence is exploited to unify the study of apparantly distinct physical problems and solutions of new models can be generated…
We developed new modified embedded-atom method (MEAM) interatomic potentials for the Mg-Al alloy system using a first-principles method based on density functional theory (DFT). The materials parameters, such as the cohesive energy,…
High-fidelity general-purpose numerical methods are increasingly needed to improve superconducting circuit quantum information processor performance. One challenge in developing such numerical methods is the lack of reference data to…
Gauss integral theorems for electric and magnetic fields, Faradays law of electromagnetic induction, magnetic field circulation theorem, theorems on the flux and circulation of vector potential, which are valid in curved spacetime, are…
Determination of the electric potential of insulated conducting objects is an important problem both theoretically and practically. For an insulated conducting object in the presence of external charges or charges distributed on the object…
The experimental investigation of the Casimir force between a large metallized sphere and semiconductor plate is performed using an atomic force microscope. Improved calibration and measurement procedures permitted reduction in the role of…
An unified thermodynamical framework based in the use of a generalized Massieu-Planck thermodynamic potential is proposed and a new formulation of Boltzmann-Gibbs Statistical Mechanics is established. Under this philosophy a generalization…
Gauge theory is a well-established concept in quantum physics, electrodynamics, and cosmology. This theory has recently proliferated into new areas, such as mechanics and astrodynamics. In this paper, we discuss a few applications of gauge…