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Multi-layered structures are widely used in the construction of metamaterial devices to realize various cutting-edge waveguide applications. This paper makes several contributions to the mathematical analysis of subwavelength resonances in…

Most modern calculations of many-electron atoms use basis sets of atomic orbitals. An accurate account for the electronic correlations in heavy atoms is very difficult computational problem and optimization of the basis sets can reduce…

In this work we propose an efficient and accurate multi-scale optical simulation algorithm by applying a numerical version of slowly varying envelope approximation in FEM. Specifically, we employ the fast iterative method to quickly compute…

The paper proposes a method to obtain the optimal basis set for solving the self consistent field (SCF) equations for large atomic systems in order to calculate the energy barriers in tunneling structures, with higher accuracy and speed.…

The performance of computational methods for many-body physics and chemistry is strongly dependent on the choice of basis used to cast the problem; hence, the search for better bases and similarity transformations is important for progress…

Coupling qubits together towards large-scale integration is a key point for realizing a quantum computer. We study the capacitively coupled superconducting phase qubits using two diagonalization methods, which are very efficient to obtain…

Block encoding is a successful technique used in several powerful quantum algorithms. In this work we provide an explicit quantum circuit for block encoding a sparse matrix with a periodic diagonal structure. The proposed methodology is…

Space group theory is pivotal in the design of nanophotonics devices, enabling the characterization of periodic optical structures such as photonic crystals. The aim of this study is to extend the application of nonsymmorphic space groups…

Metaplectic quantum basis is a universal multi-qutrit quantum basis, formed by the ternary Clifford group and the axial reflection gate $R=|0\rangle \langle 0| + |1\rangle \langle 1| - |2\rangle \langle 2|$. It is arguably, a ternary basis…

Quantum harmonic oscillators, or qumodes, provide a promising and versatile framework for quantum computing. Unlike qubits, which are limited to two discrete levels, qumodes have an infinite-dimensional Hilbert space, making them…

Continuum solvation models are becoming increasingly relevant in condensed matter simulations, allowing to characterize materials interfaces in the presence of wet electrified environments at a reduced computational cost with respect to all…

Development of quantum architectures during the last decade has inspired hybrid classical-quantum algorithms in physics and quantum chemistry that promise simulations of fermionic systems beyond the capability of modern classical computers,…

The solution of differential problems, and in particular of quantum wave equations, can in general be performed both in the direct and in the reciprocal space. However, to achieve the same accuracy, direct-space finite-difference approaches…

The exact solution of the Schrodinger equation for atoms, molecules and extended systems continues to be a "Holy Grail" problem for the field of atomic and molecular physics since inception. Recently, breakthroughs have been made in the…

The computation of electronic structure properties at the quantum level is a crucial aspect of modern physics research. However, conventional methods can be computationally demanding for larger, more complex systems. To address this issue,…

We extend density matrix embedding theory to periodic systems, resulting in an electronic band structure method for solid-state materials. The electron correlation can be captured by means of a local impurity model using various choices of…

Discrete translational symmetry plays a fundamental role in condensed matter physics and lattice gauge theories, enabling the analysis of systems that would otherwise be intractable. Despite this, many open problems remain. Quantum…

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…

The recent development of spectral method has been praised for its high-order convergence in simulating complex physical problems. The combination of embedded boundary method and spectral method becomes a mainstream way to tackle…

An explicit series solution is proposed for the inversion of the spherical mean Radon transform. Such an inversion is required in problems of thermo- and photo- acoustic tomography. Closed-form inversion formulae are currently known only…