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Solving linear systems of polynomial equations is a ubiquitous problem in both mathematics and physics. The standard approach, Gaussian elimination, scales cubically with system size and often constitutes a computational bottleneck. The…
Quantum field theories underlie all of our understanding of the fundamental forces of nature. The are relatively few first principles approaches to the study of quantum field theories [such as quantum chromodynamics (QCD) relevant to the…
We present the C++ program library mr that allows us to reliably calculate the values of the running parameters in the Standard Model at high energy scales. The initial conditions are obtained by relating the running parameters in the…
Legacy codes are in ubiquitous use in scientific simulations; they are well-tested and there is significant time investment in their use. However, one challenge is the adoption of new, sometimes incompatible computing paradigms, such as GPU…
Merlin++ is a C++ charged-particle tracking library developed for the simulation and analysis of complex beam dynamics within high energy particle accelerators. Accurate simulation and analysis of particle dynamics is an essential part of…
We describe algorithms for two-stage stochastic linear programming with recourse and their implementation on a grid computing platform. In particular, we examine serial and asynchronous versions of the L-shaped method and a trust-region…
Parallel I/O refers to the ability of scientific programs to concurrently read/write from/to a single file from multiple processes executing on distributed memory platforms like compute clusters. In the HPC world, I/O becomes a significant…
Quantum computing enables parallelism through superposition and entanglement and offers advantages over classical computing architectures. However, due to the limitations of current quantum hardware in the noisy intermediate-scale quantum…
The supercomputing platforms available for high performance computing based research evolve at a great rate. However, this rapid development of novel technologies requires constant adaptations and optimizations of the existing codes for…
We describe a parallel, adaptive, multi-block algorithm for explicit integration of time dependent partial differential equations on two-dimensional Cartesian grids. The grid layout we consider consists of a nested hierarchy of fixed size,…
We investigate lattice scalar field theory in two-dimensional Euclidean space via a quantum annealer. To accommodate the quartic interaction terms, we introduce three schemes for rewriting them as quadratic polynomials through the use of…
The rise of exascale supercomputers has fueled competition among GPU vendors, driving lattice QCD developers to write code that supports multiple APIs. Moreover, new developments in algorithms and physics research require frequent updates…
We propose the use of lattice field theory for the study of string field theory at the non-perturbative quantum level. We identify many potential obstacles and examine possible resolutions thereof. We then experiment with our approach in…
Enhancing sampling and analyzing simulations are central issues in molecular simulation. Recently, we introduced PLUMED, an open-source plug-in that provides some of the most popular molecular dynamics (MD) codes with implementations of a…
In this paper we introduce an open-source software package written in C++ for efficiently finding solutions to quadratic programming problems with linear complementarity constraints. These problems arise in a wide range of applications in…
We present the parallel particle filtering (PPF) software library, which enables hybrid shared-memory/distributed-memory parallelization of particle filtering (PF) algorithms combining the Message Passing Interface (MPI) with multithreading…
We describe the GPU implementation of shifted or multimass iterative solvers for sparse linear systems of the sort encountered in lattice gauge theory. We provide a generic tool that can be used by those without GPU programming experience…
We present a comparison of several modern C++ libraries providing high-level interfaces for programming multi- and many-core architectures on top of CUDA or OpenCL. The comparison focuses on the solution of ordinary differential equations…
Numerical studies of lattice quantum field theories are conducted in finite spatial volumes, typically with cubic symmetry in the spatial coordinates. Motivated by these studies, this work presents a general algorithm to construct…
Neutrino physics is one of the fundamental areas of research into the origins and properties of the Universe. Many experimental neutrino projects use sophisticated detectors to observe properties of these particles, and have turned to deep…