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The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules that can be obtained from a set of atomic species grow…

The spherical-harmonics expansion is a mathematically rigorous procedure and a powerful tool for the representation of potential energy surfaces of interacting molecular systems, determining their spectroscopic and dynamical properties,…

Difference sets are basic combinatorial structures that have applications in signal processing, coding theory, and cryptography. We consider the problem of identifying a shifted version of the characteristic function of a (known) difference…

Quantum Physics · Physics 2016-08-09 Martin Roetteler

A digital computer is generally believed to be an efficient universal computing device; that is, it is believed able to simulate any physical computing device with an increase in computation time of at most a polynomial factor. This may not…

Quantum Physics · Physics 2017-02-20 Peter W. Shor

Simulating the unitary dynamics of a quantum system is a fundamental problem of quantum mechanics, in which quantum computers are believed to have significant advantage over their classical counterparts. One prominent such instance is the…

Quantum Physics · Physics 2024-09-04 John M. Martyn , Yuan Liu , Zachary E. Chin , Isaac L. Chuang

Recently, machine learning potentials have been advanced as candidates to combine the high-accuracy of quantum mechanical simulations with the speed of classical interatomic potentials. A crucial component of a machine learning potential is…

Computational Physics · Physics 2019-07-05 Emir Kocer , Jeremy K. Mason , Hakan Erturk

Quantum computing provides computational advantages in various domains. To benefit from these advantages complex hybrid quantum applications must be built, which comprise both quantum and classical programs. Engineering these applications…

We consider universal approximations of symmetric and anti-symmetric functions, which are important for applications in quantum physics, as well as other scientific and engineering computations. We give constructive approximations with…

Numerical Analysis · Mathematics 2022-02-17 Jiequn Han , Yingzhou Li , Lin Lin , Jianfeng Lu , Jiefu Zhang , Linfeng Zhang

Quantum field theory provides the framework for the most fundamental physical theories to be confirmed experimentally and has enabled predictions of unprecedented precision. However, calculations of physical observables often require great…

High Energy Physics - Theory · Physics 2019-01-04 Stephen P. Jordan , Keith S. M. Lee , John Preskill

Algorithms for jointly obtaining projection estimates of the density and distribution function of a random variable using Legendre polynomials are proposed. For these algorithms, a problem of the conditional optimization is solved. Such…

Computation · Statistics 2025-07-29 Tatyana A. Averina , Konstantin A. Rybakov

Cyclic codes are among the most important families of codes in coding theory for both theoretical and practical reasons. Despite their prominence and intensive research on cyclic codes for over a half century, there are still open problems…

Information Theory · Computer Science 2021-07-02 Nuh Aydin , R. Oliver VandenBerg

This work provides a computationally efficient and statistically consistent moment-based estimator for mixtures of spherical Gaussians. Under the condition that component means are in general position, a simple spectral decomposition…

Machine Learning · Computer Science 2012-10-30 Daniel Hsu , Sham M. Kakade

The analytic integration and simplification of multi-loop Feynman integrals to special functions and constants plays an important role to perform higher order perturbative calculations in the Standard Model of elementary particles. In this…

High Energy Physics - Theory · Physics 2023-01-11 Johannes Blümlein , Carsten Schneider

Integrals involving derivatives of Legendre polynomials frequently arise in applications ranging from multipole expansions for processes involving electromagnetic probes to spectral methods in numerical physics. Despite their practical…

Mathematical Physics · Physics 2025-09-30 Yannick Wunderlich , Kyungseon Joo , Victor I. Mokeev

We give two examples where symmetric polynomials play an important role in physics: First, the partition functions of ideal quantum gases are closely related to certain symmetric polynomials, and a part of the corresponding theory has a…

Statistical Mechanics · Physics 2007-05-23 Heinz-Juergen Schmidt , Juergen Schnack

We propose new quantum algorithms for estimating spectral sums of positive semi-definite (PSD) matrices. The spectral sum of an PSD matrix $A$, for a function $f$, is defined as $ \text{Tr}[f(A)] = \sum_j f(\lambda_j)$, where $\lambda_j$…

Quantum Physics · Physics 2024-06-11 Alessandro Luongo , Changpeng Shao

We accelerate the computation of spherical harmonic transforms, using what is known as the butterfly scheme. This provides a convenient alternative to the approach taken in the second paper from this series on "Fast algorithms for spherical…

Numerical Analysis · Computer Science 2015-05-14 Mark Tygert

We introduce a numerical method for generating the approximating polynomials used in fermionic calculations with smeared link actions. We investigate the stability of the algorithm and determine the optimal weight function and the optimal…

High Energy Physics - Lattice · Physics 2009-11-10 S. D. Katz , B. C. Toth

Linear differential equations are ubiquitous in science and engineering. Quantum computers can simulate quantum systems, which are described by a restricted type of linear differential equations. Here we extend quantum simulation algorithms…

Quantum Physics · Physics 2014-02-21 Dominic W. Berry

It is recently conjectured in quantum information processing that phase-shift errors occur with high probability than qubit-flip errors, hence the former is more disturbing to quantum information than the later one. This leads us to…

Information Theory · Computer Science 2009-11-30 Salah A. Aly
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