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Several topics on the implementation of spin qubits in quantum dots are reviewed. We first provide an introduction to the standard model of quantum computing and the basic criteria for its realization. Other alternative formulations such as…
Quantum Mechanics/Molecular Mechanics (QM/MM) simulations are a popular approach to study various features of large systems. A common application of QM/MM calculations is in the investigation of reaction mechanisms in condensed-phase and…
This paper is devoted to the description of the evolution of states of quantum many-particle systems within the framework of a one-particle density operator, which enables to construct the kinetic equations in scaling limits in the presence…
We derive a mixed-dimensional 3D-1D formulation of the electrostatic equation in two domains with different dielectric constants to compute, with an affordable computational cost, the electric field and potential in the relevant case of…
Multicomponent methods are a conceptually simple way to include nuclear quantum effects into quantum chemistry calculations. In multicomponent methods, the electronic molecular orbitals are described using the linear combination of atomic…
Computational spectral imaging is drawing increasing attention owing to the snapshot advantage, and amplitude, phase, and wavelength encoding systems are three types of representative implementations. Fairly comparing and understanding the…
The scattering of electromagnetic waves by an obstacle is analyzed through a set of partial differential equations combining the Maxwell's model with the mechanics of fluids. Solitary type EM waves, having compact support, may easily be…
In electromagnetic analysis, the finite element and boundary element methods jointly known as 'FEM-BEM coupling' is applied for numerically solving levitation problem based on eddy current. The main focus behind this coupled analysis method…
We develop a theoretical model for the description of electron dynamics in coupled quantum wires when the local magnetic moment is formed in one of the wires. We employ a single-particle Hamiltonian that takes account of the specific…
A new formulation of electromagnetism based on linear differential commutator brackets is developed. Maxwell equations are derived, using these commutator brackets, from the vector potential $\vec{A}$, the scalar potential $\phi$ and the…
The ultimate goal of electronic structure calculations is to make the left and right hand sides of the titled ``equation'' as close as possible. This requires high-precision treatment of relativistic, correlation, and quantum…
Increasing complexity in the power system and the transformation towards a smart grid lead to the necessity of new tools and methods for the development and testing of new technologies. One testing method is co-simulation, which allows…
A computer simulation has to be fast to be helpful, if it is employed to study the behavior of a multicomponent dynamic system. This paper discusses modeling concepts and algorithmic techniques useful for creating such fast simulations.…
The simultaneous quantum estimation of multiple parameters can provide a better precision than estimating them individually. This is an effect that is impossible classically. We review the rich background of multi-parameter quantum…
The ion-electron coupling properties for a ion impurity in an electron gas and for a two component plasma are carried out on the basis of a regularized electron-ion potential removing the short-range Coulomb divergence. This work is largely…
The field nature of spin in the framework of the field electromagnetic particle concept is considered. A mathematical character of the fine structure constant is discussed. Three topologically different field models for charged particle…
This paper studies the problem of modeling complex domains of actions and change within high-level action description languages. We investigate two main issues of concern: (a) can we represent complex domains that capture together different…
We present an analytically solvable model of $P$ colinear, two-dimensional quantum dots, each containing two electrons. Inter-dot coupling via the electron-electron interaction gives rise to sets of entangled ground states. These ground…
The properties of quintessence are examined through the study of the variation of the electromagnetic coupling. We consider two simple quintessence models with a modified exponential potential and study the parameter space constraints…
Several concrete examples in quantum information are discussed to demonstrate the importance of proper modeling that relates the mathematical description to real-world applications. In particular, it is shown that some commonly accepted…