Related papers: Systematically Improvable Numerical Atomic Orbital…
Sliced Optimal Transport (OT) simplifies the OT problem in high-dimensional spaces by projecting supports of input measures onto one-dimensional lines and then exploiting the closed-form expression of the univariate OT to reduce the…
In this paper, we investigate projection-based intrusive and data-driven non-intrusive model order reduction methods in numerical simulation of rotating thermal shallow water equation (RTSWE) in parametric and non-parametric form.…
The rapid development of ab initio nuclear structure methods towards doubly open-shell nuclei, heavy nuclei and greater accuracy occurs at the price of evermore increased computational costs, especially RAM and CPU time. While most of the…
Using the Reduced Basis approach, we efficiently compress and accurately represent the space of waveforms for non-precessing binary black hole inspirals, which constitutes a four dimensional parameter space (two masses, two spin…
The growing number of Internet-of-Things (IoT) based artificial intelligence (AI) applications deployed at resource-constrained network edge call for ultra-reliable and low-latency data processing pipelines from distributed front-end…
We use projector operators to correct the Kohn-Sham Hamiltonian of density functional theory (KS-DFT) so that the resulting mean-field scheme yields, in finite systems, virtual orbitals and energy gaps in better agreement with those…
This paper develops and analyzes an optimal-order semi-discrete scheme and its fully discrete finite element approximation for nonlinear stochastic elastic wave equations with multiplicative noise. A non-standard time-stepping scheme is…
We present a computational scheme for orbital-free density functional theory (OFDFT) that simultaneously provides access to all-electron values and preserves the OFDFT linear scaling as a function of the system size. Using the projector…
Simulation of conditional master equations is important to describe systems under continuous measurement and for the design of control strategies in quantum systems. For large bosonic systems, such as BEC and atom lasers, full quantum field…
This paper considers the joint optimization of trajectory and beamforming of a wirelessly connected robot using intelligent reflective surface (IRS)-assisted millimeter-wave (mm-wave) communications. The goal is to minimize the motion…
Kohn-Sham (KS) formalism of Density Functional Theory is modified to include the systems with strong non-dynamic electron correlation. Unlike in extended KS and broken symmetry unrestricted KS formalisms, cases of both singlet-triplet and…
Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and…
The recently introduced nested sampling algorithm allows the direct and efficient calculation of the partition function of atomistic systems. We demonstrate its applicability to condensed phase systems with periodic boundary conditions by…
In order to provide wireless services for wide sea area, this paper designs an integrated satellite-terrestrial maritime communication framework. Specifically, the terrestrial base station (TBS) serves near-shore users, while the low earth…
We present a spectrally accurate fast algorithm for evaluating the solution to the scalar wave equation in free space driven by a large collection of point sources in a bounded domain. With $M$ sources temporally discretized by $N_t$ time…
In this work, the dynamics of dephasing (without relaxation) in the presence of a chaotic oscillator is theoretically investigated. The time-dependent density functional theory (TDDFT) framework was employed in tandem with the Lindblad…
NOMA) technique based on an algebraic design is studied. We propose an improved low-density spreading (LDS) sequence design based on projective geometry. In terms of its bit error rate (BER) performance, our proposed improved LDS code set…
We introduce a new type of Wannier functions (WFs) obtained by minimizing the conventional spread functional with a penalty term proportional to the variance of the spread distribution. This modified Wannierisation scheme is less prone to…
We adopt a two-dimensional tensor-network (TN) ansatz to simulate variational quantum algorithms on two-dimensional qubit architectures, demonstrating its capability to accurately simulate deep circuits through the Quantum Approximate…
A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…