Related papers: pyro: a framework for hydrodynamics explorations a…
A web application prototype is described, aimed at the generation of synthetic seismograms for user-defined earthquake models. The web application graphical user interface hides the complexity of the underlying computational engine, which…
The streaming of 360$^\circ$ videos is one of the most bandwidth-demanding virtual reality (VR) applications, as the video must be encoded in ultra-high resolution to ensure an immersive experience. To optimize its transmission, current…
High-energy physics phenomenology often requires linking multiple computational tools to evaluate observables, likelihoods, and experimental constraints across nontrivial parameter spaces. In this work, we introduce Jarvis-HEP, a…
Powerbox is a pure-Python package for creating and measuring structured fields with homogeneous and isotropic power spectra.
PyLog is a minimal experimental proof assistant based on linearised natural deduction for intuitionistic and classical first-order logic extended with a comprehension operator. PyLog is interesting as a tool to be used in conjunction with…
relentless is an open-source Python package that enables the optimization of objective functions computed using molecular dynamics simulations. It has a high-level, extensible interface for model parametrization; setting up, running, and…
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…
Ligands entering a protein binding pocket essentially compete with water molecules for binding to the protein. Hence, the location and thermodynamic properties of water molecules in protein structures have gained increased attention in the…
This work introduces ParAMS -- a versatile Python package that aims to make parameterization workflows in computational chemistry and physics more accessible, transparent and reproducible. We demonstrate how ParAMS facilitates the parameter…
We present an easy-to-use, Python-based framework that allows a researcher to automate their computational simulations. In particular the framework facilitates assembling several long-running computations and producing various plots from…
In this report, we present a new programming model based on Pipelines and Operators, which are the building blocks of programs written in PiCo, a DSL for Data Analytics Pipelines. In the model we propose, we use the term Pipeline to denote…
The harsh ocean environment and complex operating condition require high dynamic positioning (DP) capability of offshore vessel. The design, development and performance evaluation of DP system are generally carried out by numerical…
The ability to construct, use, and revise models is a crucial experimental physics skill. Many existing frameworks describe modeling in science education at introductory levels. However, most have limited applicability to the context of…
Petri Net is a formalism to describe changes between 2 or more states across discrete time and has been used to model many systems. We present PNet - a pure Python library for Petri Net modeling and simulation in Python programming…
Large-scale simulation studies can provide invaluable insights across computational engineering efforts, but they are often computationally demanding, requiring the use of distributed computing, which is itself not a simple task.…
Array programming provides a powerful, compact, expressive syntax for accessing, manipulating, and operating on data in vectors, matrices, and higher-dimensional arrays. NumPy is the primary array programming library for the Python…
HOOMD-blue is a particle simulation engine designed for nano- and colloidal-scale molecular dynamics and hard particle Monte Carlo simulations. It has been actively developed since March 2007 and available open source since August 2008.…
Advancement in recent years in the field of experimental gravitation has allowed to test the equivalence principle in regimes that were previously unexplored, allowing for unprecedented verifications of general relativity and also enabling…
We present here the tool "Virtual Spectro", a post-processor for spectroscopics analysis of hydrodynamic codes. We describe purpose and method of this tool, and the first application to analysis of high energy laser driven radiative shocks.
This monograph presents the design, implementation, and evaluation of Pyroclast, a modular high-performance Python framework for large-scale geodynamic simulations. Pyroclast addresses limitations of legacy geodynamics solvers, often…