Showing papers in "Computer Physics Communications in 2017"

TL;DR: This code works in the tight-binding framework, which can be generated by another software package Wannier90 Mostofi et al. (2008), and can help to classify the topological phase of a given materials by calculating the Wilson loop, and get the surface state spectrum.

TL;DR: The library Collier is presented, which provides numerical results for arbitrary tensor and scalar integrals for scattering processes in general quantum field theories and supports complex masses, which are needed in calculations involving unstable particles.

TL;DR: Ti k Z-Feynman provides an easier way to draw Feynman diagrams by building on Ti k Z and using graph drawing algorithms to automatically place vertices and can be combined with some positioning to produce complicated diagrams with relative ease.

TL;DR: The main new feature is that CheckMATE 2 now integrates the Monte Carlo event generation via Madgraph and Pythia 8, which allows users to go directly from a SLHA file or UFO model to the result of whether a model is allowed or not.

TL;DR: An object-oriented Python library for the computation of properties of highly-excited Rydberg states of alkali atoms, which includes single-body effects such as dipole matrix elements, excited-state lifetimes, Stark maps of atoms in external electric fields, as well as two-atom interaction potentials valid at both long and short range for arbitrary placement of the atomic dipoles.

TL;DR: A program is presented, STARlight, that calculates the cross-sections for a variety of UPC final states and also creates, via Monte Carlo simulation, events for use in determining detector efficiency.

TL;DR: A flexible, next-generation DFT–NEGF code handles devices with one or multiple electrodes with individual chemical potentials and electronic temperatures, as well as the newly implemented algorithms for optimized and scalable matrix inversion, performance-critical pivoting, and hybrid parallelization.

TL;DR: The Fortran95 program Recola2 is presented, for the perturbative computation of next-to-leading-order transition amplitudes in the Standard Model of particle physics and extended Higgs sectors, and allows the computation of colour- and spin-correlated leading-order squared amplitudes that are needed in the dipole subtraction formalism.

TL;DR: The new versions of the packages RunDec and CRunDec which can be used for the running and decoupling of the strong coupling constant and quark masses include five-loop corrections of the QCD beta function and four-loop decoupled effects.

TL;DR: An overview of the almaBTE program structure is given and illustrative examples for some of its uses are presented, especially well suited to investigate novel materials and structures.

TL;DR: The newest SusHi version 1.6.0 allows to calculate the Higgs production cross section from the annihilation of heavy quarks and includes various new features which improve the gluon-fusion cross-section prediction and the associated uncertainty estimate.

TL;DR: Fuchsia is an implementation of the Lee algorithm, which for a given system of ordinary differential equations with rational coefficients finds a basis transformation T ( x, ϵ) which turns the system into the epsilon form, which can be trivially solved in terms of polylogarithms as a Laurent series in the dimensional regulator ϵ.

TL;DR: The novel variant of the δ + -SPH is proved to be effective in preventing the onset of tensile instability in biological fluid mechanics.

TL;DR: The tool epsilon is presented, an efficient implementation of Lee’s algorithm based on the Fermat computer algebra system as computational back end, and a canonical basis can be found in which they fulfill a differential equation with the right hand side proportional to ϵ.

TL;DR: A new force evaluation algorithm is provided, which is based on an explicit pairwise force expression for many-body potentials derived recently, and a new open-source code, GPUMD, is developed based on the proposed formulations.

TL;DR: The package Azurite (A ZUR ich-bred method for finding master I nTE grals), which efficiently finds a basis of this vector space of loop integrals spanned by a given Feynman diagram and all of its subdiagrams.

TL;DR: An efficient coupling between Smoothed Particle Hydrodynamics (SPH) and Finite Element (FE) methods dedicated to violent fluid–structure interaction (FSI) modeling is proposed in this study.

TL;DR: This work shows that dsmcFoam+ compares well to other well-known DSMC codes and to analytical solutions in terms of benchmark results, and ensures that useful pre- and post-processing capabilities provided by OpenFOAM remain available even though the fully Lagrangian nature of a DSMC simulation is not typical of most OpenFOam applications.

TL;DR: ManeParse is a package that provides access to PDFs within Mathematica to facilitate calculation and plotting and is fast enough to enable simple calculations (involving even one or two integrations) in the MathematicA framework.

TL;DR: This work develops a framework using the finite-difference representation that enables the efficient evaluation of energies and atomic forces to within the desired accuracies in DFT, and represents an attractive alternative to plane-wave codes for practical DFT simulations of isolated clusters.

TL;DR: This paper presents an updated and refactored version of the core ALPS libraries geared at the computational physics software development community, rewritten with focus on documentation, ease of installation, and software maintainability.

TL;DR: KaTie as discussed by the authors is a parton-level event generator for hadron scattering processes that can deal with partonic initial-state momenta with an explicit transverse momentum dependence causing them to be space-like.

TL;DR: A computational code is developed, DynaPhoPy, that allows for the extraction of microscopic anharmonic phonon properties from molecular dynamics simulations using the normal-mode-decomposition technique as presented by Sun et al.

TL;DR: Maxent is a tool for performing analytic continuation of spectral functions using the maximum entropy method and implements a range of bosonic, fermionic and generalized kernels for normal and anomalous Green’s functions, self-energies, and two-particle response functions.

TL;DR: The theoretical background and user-interface of H Φ are explained, and the benchmark results of HΦ on supercomputers such as the K computer at RIKEN Advanced Institute for Computational Science (AICS) and SGI ICE XA at the Institute for the Solid State Physics (ISSP) are shown.

TL;DR: A new interface called FeynHelpers is presented that connects FeynCalc, a Mathematica package for symbolic semi-automatic evaluation of Feynman diagrams and calculations in quantum field theory (QFT) to Package-X and FIRE, which provides a library of analytic results for scalar 1-loop integrals with up to 4 legs.

TL;DR: In this article, the authors present a review of the properties of generalized domain wall Fermions, based on a real Mobius transformation on the Wilson overlap kernel, discussing their algorithmic efficiency, the degree of explicit chiral violations measured by the residual mass (m r e s ) and the Ward-Takahashi identities.

TL;DR: The AELAS code is presented, an automated program for calculating second-order elastic constants of both two-dimensional and three-dimensional single crystal materials with any symmetry, which is designed mainly for high-throughput first-principles computation.

TL;DR: The APFELgrid package converts interpolated weight tables provided by APPLgrid files into a more efficient format for PDF fitting by the combination with PDF and α s evolution factors provided byAPFEL, which significantly reduces the number of operations required to perform the calculation of hadronic observables in PDF fits.

TL;DR: A new version release (3.0) of the molecular simulation tool ms 2 (Deublein et al., 2011) is presented, featuring two additional ensembles and the ability to carry out molecular dynamics runs for an arbitrary number of state points in a single program execution.