Related papers: QCDUtils
The lattice technique of studying the strong interaction of matter is used to obtain predictions of the hadronic spectrum. These simulations were performed by the UKQCD collaboration using full (unquenched) QCD. Details of the results, a…
We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…
Near-term quantum workloads are shaped by coupled compilation and execution choices: qubit layout, routing, basis translation, gate suppression, measurement mitigation, shot budget, and artifact reproducibility. This paper analyzes…
We study how to evaluate hybrid quantum programs as end-to-end workflows rather than as isolated devices or algorithms. Building on the Hybrid Quantum Program Evaluation Framework (HQPEF), we formalize a workflow-aware Quantum Readiness…
We demonstrate that lattice QCD calculations can be made $10^3$--$10^6$ times faster by using very coarse lattices. To obtain accurate results, we replace the standard lattice actions by perturbatively-improved actions with tadpole-improved…
This paper describes the algorithms, features and implementation of PyDEC, a Python library for computations related to the discretization of exterior calculus. PyDEC facilitates inquiry into both physical problems on manifolds as well as…
Following our previous proposal [1], we construct a class of good "lattice cross sections" (LCSs), from which we could study partonic structure of hadrons from ab initio lattice QCD calculations. These good LCSs, on the one hand, can be…
Quantum Computing (QC) has evolved from a few custom quantum computers, which were only accessible to their creators, to an array of commercial quantum computers that can be accessed on the cloud by anyone. Accessing these cloud quantum…
The first exploratory calculations of QCD vacuum correlation functions on a lattice are reported. Qualitative agreement with phenomenological results is obtained in channels for which experimental data are available, and these correlation…
Jefferson Lab and MIT are developing a set of web-based tools within the Lattice Hadron Physics Collaboration to allow lattice QCD theorists to treat the computational facilities located at the two sites as a single meta-facility. The…
The open source ALPS (Algorithms and Libraries for Physics Simulations) project provides a collection of physics libraries and applications, with a focus on simulations of lattice models and strongly correlated systems. The libraries…
We present an XML schema for marking up gauge configurations called QCDml. We discuss the general principles and include a tutorial on how to use the schema.
Drawing and visualisation of molecular structures are some of the most common tasks carried out in structural glycobiology, typically using various software. In this perspective article, we outline developments in the computational tools…
HYPERTILING is a high-performance Python library for the generation and visualization of regular hyperbolic lattices embedded in the Poincar\'e disk model. Using highly optimized, efficient algorithms, hyperbolic tilings with millions of…
Virtual observatories allow the means by which an astronomer is able to discover, access, and process data seamlessly, regardless of its physical location. However, steep learning curves are often required to become proficient in the…
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…
Particle physics underpins our understanding of the world at a fundamental level by describing the interplay of matter and forces through gauge theories. Yet, despite their unmatched success, the intrinsic quantum mechanical nature of gauge…
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…
The udkm1Dsim toolbox is a collection of Python classes and routines to simulate the thermal, structural, and magnetic dynamics after laser excitation as well as the according X-ray scattering response in one-dimensional sample structures.…
We present a collection of tools automating the efficient computation of large sets of theory predictions for high-energy physics. Calculating predictions for different processes often require dedicated programs. These programs, however,…