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Quantum key distribution (QKD) allows secure key exchange based on the principles of quantum mechanics, with higher-dimensional photonic states offering enhanced channel capacity and resilience to noise. Free-space QKD is crucial for global…
We present a $GW$ space-time algorithm for periodic systems in a Gaussian basis including spin-orbit coupling. We employ lattice summation to compute the irreducible density response and the self-energy, while we employ $k$-point sampling…
In this paper, we propose a computational framework for the optimal design of broadband absorbing materials composed of plasmonic nanoparticle arrays. This design problem poses several key challenges: (1) the complex multi-particle…
Dispersive shock waves (DSWs) in the three dimensional Benjamin- Ono (3DBO) equation is studied with step-like initial condition along a paraboloid front. By using a similarity reduction, problem of studying DSWs in three space one time…
We develop a sampling scheme on the sphere that permits accurate computation of the spherical harmonic transform and its inverse for signals band-limited at $L$ using only $L^2$ samples. We obtain the optimal number of samples given by the…
Representing a target quantum state by a compact, efficient variational wave-function is an important approach to the quantum many-body problem. In this approach, the main challenges include the design of a suitable variational ansatz and…
We present a method for calculating the spectrum of extended solids within reduced density matrix functional theory. An application of this method to the strongly correlated transition metal oxide series demonstrates that (i) an insulating…
A first-principles atomic orbital-based electronic structure method is used to investigate the low index surfaces of rutile Titanium Dioxide. The method is relatively cheap in computational terms, making it attractive for the study of oxide…
We present an efficient numerical code based on spectral methods to integrate the field equations of general Robinson-Trautmann spacetimes. The most natural basis functions for the spectral expansion of the metric functions are spherical…
Approximating a function with a finite series, e.g., involving polynomials or trigonometric functions, is a critical tool in computing and data analysis. The construction of such approximations via now-standard approaches like least squares…
We consider the task of performing quantum state tomography on a $d$-level spin qudit, using only measurements of spin projection onto different quantization axes. After introducing a basis of operators closely related to the spherical…
Hard combinatorial optimization problems, often mapped to Ising models, promise potential solutions with quantum advantage but are constrained by limited qubit counts in near-term devices. We present an innovative quantum-inspired framework…
Accurate description of deformed atomic nuclei by the orbital-free density functional theory has been a longstanding textbook challenge, due to the difficulty in accounting for the intricate quantum shell effects that are present in such…
In our previous work [29], we proposed a class of high-order asymptotic preserving (AP) finite difference weighted essentially non-oscillatory (WENO) schemes for solving the shallow water equations (SWEs) with bottom topography and Manning…
The past years have witnessed impressive advances in electronic structure calculation, especially in the complexity and size of the systems studied, as well as in computation time. Linear scaling methods based on empirical tight-binding…
In this paper, a downlink intelligent reflecting surface (IRS) enhanced millimeter-wave (mmWave) non-orthogonal multiple access (NOMA) system is considered. A joint optimization problem over active beamforming, passive beamforming and power…
Magnetization dynamics in nanomagnets has attracted broad interest since it was predicted that a dc-current flowing through a thin magnetic layer can create spin-wave excitations. These excitations are due to spin-momentum transfer, a…
This paper focuses on providing the high order algorithms for the space-time tempered fractional diffusion-wave equation. The designed schemes are unconditionally stable and have the global truncation error $\mathcal{O}(\tau^2+h^2)$, being…
This paper aims to explore reconfigurable intelligent surface (RIS) integration in a millimeter wave (mmWave) communication system with low-complexity transceiver architecture under imperfect CSI assumption. Towards this, we propose a…
Electronic structure calculations on small systems such as H$_2$, H$_2$O, LiH, and BeH$_2$ with chemical accuracy are still a challenge for the current generation of the noisy intermediate-scale quantum (NISQ) devices. One of the reasons is…