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We present quantum algorithms for the estimation of n-time correlation functions, the local and non-local density of states, and dynamical linear response functions. These algorithms are all based on block-encodings - a versatile technique…
We present a new algorithm to rapidly and optimally compute power spectra. This new algorithm is based on a generalization of iterative multigrid, and has computational cost O(N log N), compared to the standard brute force approach which…
I will review the progress toward a finite baryon density algorithm in the canonical ensemble approach which entails particle number projection from the fermion determinant. These include an efficient Pad\'{e}-Z$_2$ stochastic estimator of…
Astrophysical time series often contain periodic signals. The large and growing volume of time series data from photometric surveys demands computationally efficient methods for detecting and characterizing such signals. The most efficient…
We present an efficient, linear-scaling implementation for building the (screened) Hartree-Fock exchange (HFX) matrix for periodic systems within the framework of numerical atomic orbital (NAO) basis functions. Our implementation is based…
Several rapid parameter estimation methods have recently been advanced to deal with the computational challenges of the problem of Bayesian inference of the properties of compact binary sources detected in the upcoming science runs of the…
Adaptive Fourier decomposition (AFD, precisely 1-D AFD or Core-AFD) was originated for the goal of positive frequency representations of signals. It achieved the goal and at the same time offered fast decompositions of signals. There then…
We develop a numerical Brillouin-zone integration scheme for real-time propagation of electronic systems with time-dependent density functional theory. This scheme is based on the decomposition of a large simulation into a set of small…
We present new efficient (O(N log N)) methods for computing three quantities crucial to electronic structure calculations: the ionic potential, the electron-ion contribution to the Born-Oppenheimer forces, and the electron-ion contribution…
We present a new numerical method for accurate computations of solutions to (linear) one dimensional Schr\"odinger equations with periodic potentials. This is a prominent model in solid state physics where we also allow for perturbations by…
We present an efficient scheme for accurate electronic structure interpolations based on the systematically improvable optimized atomic orbitals. The atomic orbitals are generated by minimizing the spillage value between the atomic basis…
In this paper, we will introduce a high order numerical method to solve the scattering problems with non-periodic incident fields and (locally perturbed) periodic surfaces. For the problems we are considering, the classical methods to treat…
We improve the running times of $O(1)$-approximation algorithms for the set cover problem in geometric settings, specifically, covering points by disks in the plane, or covering points by halfspaces in three dimensions. In the unweighted…
We present a high-order accurate boundary-based solver for three-dimensional (3D) frequency-domain scattering from a doubly-periodic grating of smooth axisymmetric sound-hard or transmission obstacles. We build the one-obstacle solution…
The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show…
We present an efficient and accurate grid method for solving the time-dependent Schr\"{o}dinger equation of atomic systems interacting with intense laser pulses. As usual, the angular part of the wave function is expanded in terms of…
We develop an effective computational tool for simulating the scattering of 1D waves by a composite layer architected in an otherwise homogeneous medium. The layer is designed as the union of segments cut from various mother periodic media,…
We present a method to accelerate the evaluation of the likelihood in gravitational wave parameter estimation. Parameter estimation codes compute likelihoods of similar waveforms, whose phases and amplitudes differ smoothly with frequency.…
We study dynamic $(1-\epsilon)$-approximate rounding of fractional matchings -- a key ingredient in numerous breakthroughs in the dynamic graph algorithms literature. Our first contribution is a surprisingly simple deterministic rounding…
We present efficient methods for Brillouin zone integration with a non-zero but possibly very small broadening factor $\eta$, focusing on cases in which downfolded Hamiltonians can be evaluated efficiently using Wannier interpolation. We…