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The simulation of heat flow through heterogeneous material is important for the design of structural and electronic components. Classical analytical solutions to the heat equation PDE are not known for many such domains, even those having…
fwdpp is a C++ library of routines intended to facilitate the development of forward-time simulations under arbitrary mutation and fitness models. The library design provides a combination of speed, low memory overhead, and modeling…
Medusa, a novel library for implementation of strong form mesh-free methods, is described. We identify and present common parts and patterns among many such methods reported in the literature, such as node positioning, stencil selection and…
Traditional simulations on High-Performance Computing (HPC) systems typically involve modeling very large domains and/or very complex equations. HPC systems allow running large models, but limits in performance increase that have become…
Machine learning workflow development is a process of trial-and-error: developers iterate on workflows by testing out small modifications until the desired accuracy is achieved. Unfortunately, existing machine learning systems focus…
Successful HPC software applications are long-lived. When ported across machines and their compilers, these applications often produce different numerical results, many of which are unacceptable. Such variability is also a concern while…
Over the past few years, robotics simulators have largely improved in efficiency and scalability, enabling them to generate years of simulated data in a few hours. Yet, efficiently and accurately computing the simulation derivatives remains…
Motivation: Building and iterating machine learning models is often a resource-intensive process. In biomedical research, scientific codebases can lack scalability and are not easily transferable to work beyond what they were intended.…
We introduce PennyLane's Lightning suite, a collection of high-performance state-vector simulators targeting CPU, GPU, and HPC-native architectures and workloads. Quantum applications such as QAOA, VQE, and synthetic workloads are…
We present a new software framework for simulating lattice field theories. It features an intuitive programming interface, while simultaneously achieving high performance supercomputing, all in one programming language, Nim. With a macro…
We present MGPU, a C++ programming library targeted at single-node multi-GPU systems. Such systems combine disproportionate floating point performance with high data locality and are thus well suited to implement real-time algorithms. We…
XMDS2 is a cross-platform, GPL-licensed, open source package for numerically integrating initial value problems that range from a single ordinary differential equation up to systems of coupled stochastic partial differential equations. The…
Problems in modeling and simulation require significantly different workflow management technologies than standard grid-based workflow management systems. Computational scientists typically interact with simulation software in a feedback…
The Locust simulation package is a new C++ software tool developed to simulate the measurement of time-varying electromagnetic fields using RF detection techniques. Modularity and flexibility allow for arbitrary input signals, while…
CG-Kit is a new code generation toolkit that we propose as a solution for portability and maintainability for scientific computing applications. The development of CG-Kit is rooted in the urgent need created by the shifting landscape of…
We introduce Lyceum, a high-performance computational ecosystem for robot learning. Lyceum is built on top of the Julia programming language and the MuJoCo physics simulator, combining the ease-of-use of a high-level programming language…
Containers are an emerging technology that hold promise for improving productivity and code portability in scientific computing. We examine Linux container technology for the distribution of a non-trivial scientific computing software stack…
In this white paper, we describe characteristics of tools for classical simulations of quantum computational devices appropriate for High Energy Physics applications.
In non-linear systems, where explicit analytic solutions usually can't be found, visualisation is a powerful approach which can give insights into the dynamical behaviour of models; it is also crucial for teaching this area of mathematics.…
HepLib is a C++ Library for computations in High Energy Physics, it works on top of GiNaC, a well-established C++ library used to perform symbolic computations. HepLib combines serval well-known packages to get high efficiency, including…