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The increasing growth of data volume, and the consequent explosion in demand for computational power, are affecting scientific computing, as shown by the rise of extreme data scientific workflows. As the need for computing power increases,…
Today's quantum computers are primarily accessible through the cloud and potentially shifting to the edge network in the future. With the rapid advancement and proliferation of quantum computing research worldwide, there has been a…
Visibility is a fundamental concept in computational geometry, with numerous applications in surveillance, robotics, and games. This software paper presents T\v{r}iVis, a C++ library developed by the authors for computing numerous…
The technology of Quantum Computing (QC) is continuously evolving, as researchers explore new technologies and the public gains access to quantum computers with an increasing number of qubits. In addition, the research community and…
Various physical constraints limit the number of qubits that can be implemented in a single quantum processor, and thus it is necessary to connect multiple quantum processors via quantum interconnects. While several compiler implementations…
QwaveMPS is an open-source Python library for simulating one-dimensional quantum many-body waveguide systems using matrix product states (MPS). It provides a user-friendly interface for constructing, evolving, and analyzing quantum states…
Open quantum systems provide a conceptually simple setting for the exploration of collective behavior stemming from the competition between quantum effects, many-body interactions, and dissipative processes. They may display dynamics…
Quantum computing is getting increasing interest from both academia and industry, and the quantum software landscape has been growing rapidly. The quantum software stack comprises quantum programs, implementing algorithms, and platforms…
We introduce atomicrex, an open-source code for constructing interatomic potentials as well as more general types of atomic-scale models. Such effective models are required to simulate extended materials structures comprising many thousands…
This whitepaper presents NWQWorkflow, an end-to-end workflow for quantum application development, compilation, error correction, benchmarking, numerical simulation, control, and execution on a prototype superconducting testbed. NWQWorkflow…
Quantum computers have the potential to solve some important industrial and scientific problems with greater efficiency than classical computers. While most current realizations focus on two-level qubits, the underlying physics used in most…
Quantum resources are increasingly integrated into high-performance computing (HPC) and cloud environments, but quantum high-performance computing (QHPC) software stacks remain isolated, often proprietary, full-stack solutions lacking…
We present the CAPD::DynSys library for rigorous numerical analysis of dynamical systems. The basic interface is described together with several interesting case studies illustrating how it can be used for computer-assisted proofs in…
We introduce PyQBench, an innovative open-source framework for benchmarking gate-based quantum computers. PyQBench can benchmark NISQ devices by verifying their capability of discriminating between two von Neumann measurements. PyQBench…
A new open source tool for fluid simulation of multi-component plasmas is presented, based on a flexible software design that is applicable to scientific simulations in a wide range of fields. This design enables the same code to be…
Quantum impurity solvers have a broad range of applications in theoretical studies of strongly correlated electron systems. Especially, they play a key role in dynamical mean-field theory calculations of correlated lattice models and…
Tkwant is a Python package for the simulation of quantum nanoelectronics devices to which external time-dependent perturbations are applied. Tkwant is an extension of the Kwant package (https://kwant-project.org/) and can handle the same…
The simulation of quantum systems is one of the flagship applications of near-term NISQ (noisy intermediate-scale quantum) computing devices. Efficiently simulating the rich, non-unitary dynamics of open quantum systems remains challenging…
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 a powerful tool to study quantum systems beyond exactly solvable systems lacking an analytic expression. For one-dimensional entangled quantum systems, tensor network methods, amongst them Matrix Product States…