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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…
This paper presents an efficient parallel direct algorithm with near-optimal complexity for the compact fourth and sixth-order approximation of the three-dimensional Helmholtz equations [1] with the problem coefficient depending on only one…
State-specific orbital optimized approaches are more accurate at predicting core-level spectra than traditional linear-response protocols, but their utility had been restricted on account of the risk of `variational collapse' down to the…
Fast Fourier Transform (FFT) is one of the most important tools in digital signal processing. FFT costs O(N \log N) for transforming a signal of length N. Recently, Sparse Fourier Transform (SFT) has emerged as a critical issue addressing…
Koopmans-compliant functionals provide an orbital-density-dependent framework for an accurate evaluation of spectral properties; they are obtained by imposing a generalized piecewise-linearity condition on the total energy of the system…
In this paper, we exploit the concept of Kolmogorov $n$-widths to establish optimality benchmarks for reduced-order methods used in phononic, acoustic, and photonic band structure calculations. The Bloch-transformed operators are entire…
We present here a new algorithm for the fast computation of N-point correlation functions in large astronomical data sets. The algorithm is based on kdtrees which are decorated with cached sufficient statistics thus allowing for orders of…
In this paper, we propose Fourier pseudospectral methods to solve the variable-order space fractional wave equation and develop an accelerated matrix-free approach for its effective implementation. In constant-order cases, our methods can…
A recently developed density functional method, within Hohenberg-Kohn-Sham framework, is used for faithful description of atoms, molecules in Cartesian coordinate grid, by using an LCAO-MO ansatz. Classical Coulomb potential is obtained by…
We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic metals and the magnetic circular dichroism of…
We present a new algorithm for the widely used density-based clustering method DBscan. Our algorithm computes the DBscan-clustering in $O(n\log n)$ time in $\mathbb{R}^2$, irrespective of the scale parameter $\varepsilon$ (and assuming the…
We present a method that gives highly accurate electrostatic potentials for systems where we have periodic boundary conditions in two spatial directions but free boundary conditions in the third direction. These boundary conditions are…
We introduce an efficient scheme for the construction of quadrature rules for bandlimited functions. While the scheme is predominantly based on well-known facts about prolate spheroidal wave functions of order zero, it has the asymptotic…
This paper presents a novel algorithm for the modulus operation for FPGA implementation. The proposed algorithm use only addition, subtraction, logical, and bit shift operations, avoiding the complexities and hardware costs associated with…
High throughput screening of materials for technologically relevant areas, like identification of better catalysts, electronic materials, ceramics for high temperature applications and drug discovery, is an emerging topic of research. To…
In this paper we present a fully deterministic method for the numerical solution to the Boltzmann equation of rarefied gas dynamics in a bounded domain for multi-scale problems. Periodic, specular reflection and diffusive boundary…
We propose a low complexity antenna selection algorithm for low target rate users in cloud radio access networks. The algorithm consists of two phases: In the first phase, each remote radio head (RRH) determines whether to be included in a…
It is well known that a particle in a periodic potential with an additional constant force performs Bloch oscillations. Modulating every second period of the potential, the original Bloch band splits into two subbands. The dynamics of…
We propose a neural-network variational quantum algorithm to simulate the time evolution of quantum many-body systems. Based on a modified restricted Boltzmann machine (RBM) wavefunction ansatz, the proposed algorithm can be efficiently…
We present the first optimal randomized algorithm for constructing the order-$k$ Voronoi diagram of $n$ points in two dimensions. The expected running time is $O(n\log n + nk)$, which improves the previous, two-decades-old result of Ramos…