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We present mechanoChemML, a machine learning software library for computational materials physics. mechanoChemML is designed to function as an interface between platforms that are widely used for machine learning on one hand, and others for…
Numerical simulations are ubiquitous in mathematics and computational science. Several industrial and clinical applications entail modeling complex multiphysics systems that evolve over a variety of spatial and temporal scales. This study…
This paper introduces a new publicly available numerical library for cosmology, Cosmo++. The library has been designed using object-oriented programming techniques, and fully implemented in C++. Cosmo++ introduces a unified interface for…
Quantum simulation, fundamental in quantum algorithm design, extends far beyond its foundational roots, powering diverse quantum computing applications. However, optimizing the compilation of quantum Hamiltonian simulation poses significant…
We present CubismAMR, a C++ library for distributed simulations with block-structured grids and Adaptive Mesh Refinement. A numerical method to solve the incompressible Navier-Stokes equations is proposed, that comes with a novel approach…
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…
We present here the most recent version of FermiQCD, a collection of C++ classes, functions and parallel algorithms for lattice QCD, based on Matrix Distributed Processing. FermiQCD allows fast development of parallel lattice applications…
OPENMMF is a numerical library designed to evaluate the Time-Evolution Operator of quantum systems with a discrete spectrum, and driven by an arbitrary combination of harmonic couplings. The time-evolution operator is calculated as a…
We present ffsim, an open-source software library for fast simulation of fermionic quantum circuits. ffsim exploits conservation of particle number and the z component of spin, symmetries present in a wide range of fermionic systems, to…
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…
We present qlbm, a Python software package designed to facilitate the development, simulation, and analysis of Quantum Lattice Boltzmann Methods (QBMs). qlbm is a modular framework that introduces a quantum component abstraction hierarchy…
Modelling of multivariate densities is a core component in many signal processing, pattern recognition and machine learning applications. The modelling is often done via Gaussian mixture models (GMMs), which use computationally expensive…
Quantum computer simulation software is an integral tool for the research efforts in the quantum computing community. An important aspect is the efficiency of respective frameworks, especially for training variational quantum algorithms.…
The qft++ package is a library of C++ classes that facilitate numerical (not algebraic) quantum field theory calculations. Mathematical objects such as matrices, tensors, Dirac spinors, polarization and orbital angular momentum tensors,…
Quantum computational chemistry (QCC) is the use of quantum computers to solve problems in computational quantum chemistry. We develop a high performance variational quantum eigensolver (VQE) simulator for simulating quantum computational…
Calcium is a C library for real and complex numbers in a form suitable for exact algebraic and symbolic computation. Numbers are represented as elements of fields $\mathbb{Q}(a_1,\ldots,a_n)$ where the extensions numbers $a_k$ may be…
Classical simulation is important because it sets a benchmark for quantum computer performance. Classical simulation is currently the only way to exercise larger numbers of qubits. To achieve larger simulations, sparse matrix processing is…
Scientific applications are starting to explore the viability of quantum computing. This exploration typically begins with quantum simulations that can run on existing classical platforms, albeit without the performance advantages of real…
Quantum computing is an emerging technology, promising a paradigm shift in computing, and allowing for speedups in many different problems. However, quantum devices are still in their early stages, most with only a small number qubits. This…
We present the software library libCreme which we have previously used to successfully calculate convex-roof entanglement measures of mixed quantum states appearing in realistic physical systems. Evaluating the amount of entanglement in…