Related papers: XMDS2: Fast, scalable simulation of coupled stocha…

SPSMAT (Spectral/Pseudospectral matrix method) is an add-on for Octave, that helps you solve nonfractional-/fractional ordinary/partial differential/integral equations. In this version, as the first version, the well-defined spectral or…

This paper presents the Parallel Coupler for Multimodel Simulations (PCMS), a new GPU accelerated generalized coupling framework for coupling simulation codes on leadership class supercomputers. PCMS includes distributed control and field…

Molecular simulation is a scientific tool dealing with challenges in material science and biology. This is reflected in a permanent development and enhancement of algorithms within scientific simulation packages. Here, we present…

While Quantum Information Science (QIS) is still in its infancy, the ability for quantum based hardware or computers to communicate and integrate with their classical counterparts will be a major requirement towards their success. Little…

We present a set of programming tools (classes and functions written in C++ and based on Message Passing Interface) for fast development of generic parallel (and non-parallel) lattice simulations. They are collectively called MDP 1.2. These…

We introduce JAX MD, a software package for performing differentiable physics simulations with a focus on molecular dynamics. JAX MD includes a number of physics simulation environments, as well as interaction potentials and neural networks…

We present PackLib^2, the first fully integrated benchmark library for multi-dimensional packing instances. PackLib^2 combines a systematic collection of all benchmark instances from previous literature with a well-organized set of new and…

Large scale parameter estimation problems are among some of the most computationally demanding problems in numerical analysis. An academic researcher's domain-specific knowledge often precludes that of software design, which results in…

MADNESS (multiresolution adaptive numerical environment for scientific simulation) is a high-level software environment for solving integral and differential equations in many dimensions that uses adaptive and fast harmonic analysis methods…

The $M_2$ variables are devised to extend $M_{T2}$ by promoting transverse masses to Lorentz-invariant ones and making explicit use of on-shell mass relations. Unlike simple kinematic variables such as the invariant mass of visible…

We present a simple to use, yet powerful code package called NLSEmagic to numerically integrate the nonlinear Schr\"odinger equation in one, two, and three dimensions. NLSEmagic is a high-order finite-difference code package which utilizes…

We present release 2.0 of the ALPS (Algorithms and Libraries for Physics Simulations) project, an open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models…

Computational micromagnetics requires numerical solution of partial differential equations to resolve complex interactions in magnetic nanomaterials. The Virtual Micromagnetics project described here provides virtual machine simulation…

The process of setting up and successfully running Molecular Dynamics Simulations (MDS) is outlined to be incredibly labour and computationally expensive with a very high barrier to entry for newcomers wishing to utilise the benefits and…

Solvent plays an essential role in a variety of chemical, physical, and biological processes that occur in the solution phase. The reference interaction site model (RISM) and its three-dimensional extension (3D-RISM) serve as powerful…

We present Decapodes, a diagrammatic tool for representing, composing, and solving partial differential equations. Decapodes provides an intuitive diagrammatic representation of the relationships between variables in a system of equations,…

Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…

The increasing number of applications requiring the solution of large scale singular value problems have rekindled interest in iterative methods for the SVD. Some promising recent ad- vances in large scale iterative methods are still…

MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an…

Numerical simulations for engineering applications solve partial differential equations (PDE) to model various physical processes. Traditional PDE solvers are very accurate but computationally costly. On the other hand, Machine Learning…