相关论文: MSGCorep: A package for corepresentations of magne…
QMCPACK is an open source quantum Monte Carlo package for ab-initio electronic structure calculations. It supports calculations of metallic and insulating solids, molecules, atoms, and some model Hamiltonians. Implemented real space quantum…
We revisit a natural variant of geometric set cover, called minimum-membership geometric set cover (MMGSC). In this problem, the input consists of a set $S$ of points and a set $\mathcal{R}$ of geometric objects, and the goal is to find a…
Every numerical general relativistic investigation starts from the solution of the initial value equations at a given time. Astrophysically relevant initial values for different systems lead to distinct set of equations that obey specific…
In this paper, we present MusPy, an open source Python library for symbolic music generation. MusPy provides easy-to-use tools for essential components in a music generation system, including dataset management, data I/O, data preprocessing…
MCgrid is a software package that provides access to the APPLgrid interpolation tool for Monte Carlo event generator codes, allowing for fast and flexible variations of scales, coupling parameters and PDFs in cutting edge leading and…
We describe an efficient and exact method that enables global Bayesian analysis of cosmic microwave background (CMB) data. The method reveals the joint posterior density (or likelihood for flat priors) of the power spectrum $C_\ell$ and the…
We develop a package using the computer algebra system GAP for computing the decomposition of a representation $\rho$ of a finite group $G$ over $\mathbb{C}$ into irreducibles, as well as the corresponding decomposition of the centraliser…
A great variety of fundamental optimization and counting problems arising in computer science, mathematics and physics can be reduced to one of the following computational tasks involving polynomials and set systems: given an $m$-variate…
Matrix product purifications (MPPs) are a very efficient tool for the simulation of strongly correlated quantum many-body systems at finite temperatures. When a system features symmetries, these can be used to reduce computation costs…
We describe a new visualization tool, dubbed HCMapper, that visually helps to compare a pair of dendrograms computed on the same dataset by displaying multiscale partition-based layered structures. The dendrograms are obtained by…
Quantitative understanding of the spatial distribution of magnetic fields and Meissner screening currents in two-dimensional (2D) superconductors and mesoscopic thin film superconducting devices is critical to interpreting the results of…
We consider convex programming problems with integrality constraints that are invariant under a linear symmetry group. To decompose such problems we introduce the new concept of core points, i.e., integral points whose orbit polytopes are…
Iso-surface extraction from an implicit field is a fundamental process in various applications of computer vision and graphics. When dealing with geometric shapes with complicated geometric details, many existing algorithms suffer from high…
Computational micromagnetics has become an essential tool in academia and industry to support fundamental research and the design and development of devices. Consequently, computational micromagnetics is widely used in the community, and…
Molecular adsorption is the first important step of many surface-mediated chemical processes, from catalysis to tribology. This phenomenon is controlled by physical/chemical interactions, which can be accurately described by first…
Computed tomography (CT) is routinely used in clinical practice to evaluate a wide variety of medical conditions. While CT scans provide diagnoses, they also offer the ability to extract quantitative body composition metrics to analyze…
The calculation of the MP2 correlation energy for extended systems can be viewed as a multi-dimensional integral in the thermodynamic limit, and the standard method for evaluating the MP2 energy can be viewed as a trapezoidal quadrature…
The open-source python package diffpy.mpdf, part of the DiffPy suite for diffraction and pair distribution function analysis, provides a user-friendly approach for performing magnetic pair distribution function (mPDF) analysis. The package…
Group theoretical methods are used to determine the electromagnetic properties of artificial magnetic meta-materials, based solely upon the symmetries of the underlying constituent particles. Point groups for such materials are determined.…
Numerical simulations are a powerful tool to study quantum systems beyond exactly solvable systems lacking an analytic expression. For one-dimensional entangled quantum systems, tensor network methods, amongst them Matrix Product States…