相关论文: SHarmonic: A fast and accurate implementation of s…
We present a method for the calculation of electronic structure of systems that contain tens of thousands of atoms. The method is based on the division of the system into mutually overlapping fragments and the representation of the…
The purpose of this paper is to show how a class of classical linear stochastic systems can be physically implemented using quantum optical components. Quantum optical systems typically have much higher bandwidth than electronic devices,…
This paper studies numerical integration over the unit sphere $ \mathbb{S}^2 \subset \mathbb{R}^{3} $ by using spherical $t$-design, which is an equal positive weights quadrature rule with polynomial precision $t$. We investigate two kinds…
Stochastic computing (SC) allows reducing hardware complexity and improving energy efficiency of error resilient applications. However, a main limitation of the computing paradigm is the low throughput induced by the intrinsic serial…
Symplectic integrators for Hamiltonian systems have been quite successful for studying few-body dynamical systems. These integrators are frequently derived using a formalism built on symplectic maps. There have been recent efforts to extend…
We introduce \textsc{qcmath}, a user-friendly quantum chemistry software tailored for electronic structure calculations, implemented using the Wolfram Mathematica language and available at \url{https://github.com/LCPQ/qcmath}. This…
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…
We describe a parallel hybrid symplectic integrator for planetary system integration that runs on a graphics processing unit (GPU). The integrator identifies close approaches between particles and switches from symplectic to Hermite…
The convergence property of a stochastic algorithm for the self-consistent field (SCF) calculations of electron structures is studied. The algorithm is formulated by rewriting the electron charges as a trace/diagonal of a matrix function,…
HEALPix -- the Hierarchical Equal Area iso-Latitude Pixelization -- is a versatile data structure with an associated library of computational algorithms and visualization software that supports fast scientific applications executable…
String diagrams are an increasingly popular algebraic language for the analysis of graphical models of computations across different research fields. Whereas string diagrams have been thoroughly studied as semantic structures, much less…
Conformal blocks for correlation functions of tensor operators play an increasingly important role for the conformal bootstrap programme. We develop a universal approach to such spinning blocks through the harmonic analysis of certain…
Real-space refinement of atomic models in macromolecular crystallography or in cryo electron microscopy fits a model to a map obtained experimentally. This requires generating model maps of a limited resolution which moreover may vary from…
In this article, we present a $T$-matrix method for numerical computation of second-harmonic generation from clusters of arbitrarily distributed spherical particles made of centrosymmetric optical materials. The electromagnetic fields at…
We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the…
Transformer architectures offer significant advantages regarding the generation of symbolic music; their capabilities for incorporating user preferences toward what they generate is being studied under many aspects. This paper studies the…
We present a very simple expression and a Fortran code for the fast and precise calculation of three-dimensional harmonic-oscillator transformation brackets. The complete system of symmetries for the brackets along with analytical…
Spherical $t$-designs on $\mathbb{S}^{d}\subset\mathbb{R}^{d+1}$ provide $N$ nodes for an equal weight numerical integration rule which is exact for all spherical polynomials of degree at most $t$. This paper considers the generation of…
The wave functions of a quantum isotropic harmonic oscillator in N-space modified by barriers at the coordinate hyperplanes can be expressed in terms of certain generalized spherical harmonics. These are associated with a product-type…
Structure-preserving algorithms and algorithms with uniform error bound have constituted two interesting classes of numerical methods. In this paper, we blend these two kinds of methods for solving nonlinear Hamiltonian systems with highly…