Related papers: OpenFermion: The Electronic Structure Package for …
We present the ALPS (Algorithms and Libraries for Physics Simulations) project, an international open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models…
Numerical physics has gained a lot of importance in the last decade, its efficiency being motivated and sustained by the growth of computational power. This paper presents a concept that is to be developed in the next few years: OpenPh.…
Electronic structure simulation is an anticipated application for quantum computers. Due to high-dimensional quantum entanglement in strongly correlated systems, the quantum resources required to perform such simulations are far beyond the…
The rapid advancements in quantum computing necessitate a scientific and rigorous approach to the construction of a corresponding software ecosystem, a topic underexplored and primed for systematic investigation. This chapter takes an…
This paper introduces ChemGen, a software package that uses code generation to integrate multispecies thermodynamics and chemical kinetics into C+-based computational physics codes. ChemGen aims to make chemical kinetics more accessible in…
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory,…
By leveraging quantum-mechanical properties like superposition, entanglement, and interference, quantum computing (QC) offers promising solutions for problems that classical computing has not been able to solve efficiently, such as drug…
This paper introduces Fermihedral, a compiler framework focusing on discovering the optimal Fermion-to-qubit encoding for targeted Fermionic Hamiltonians. Fermion-to-qubit encoding is a crucial step in harnessing quantum computing for…
Distributed, large-scale quantum computing will need architectures that combine matter-based qubits with photonic links, but today's software stacks target either gate-based chips or linear-optical devices in isolation. We introduce Optyx,…
DisCoPy (Distributional Compositional Python) is an open source toolbox for computing with string diagrams and functors. In particular, the diagram data structure allows to encode various kinds of quantum processes, with functors for…
Quantum computing has the potential to revolutionize multiple fields by solving complex problems that can not be solved in reasonable time with current classical computers. Nevertheless, the development of quantum computers is still in its…
PyMembrane is a software package for simulating liquid and elastic membranes using a discretisation of the continuum description based on unstructured triangulated two-dimensional meshes embedded in three-dimensional space. The package is…
Recent developments in quantum hardware indicate that systems featuring more than 50 physical qubits are within reach. At this scale, classical simulation will no longer be feasible and there is a possibility that such quantum devices may…
Simulating the properties of many-body fermionic systems is an outstanding computational challenge relevant to material science, quantum chemistry, and particle physics. Although qubit-based quantum computers can potentially tackle this…
In this work we introduce Qumin, a novel quantum programming language with a focus on providing an easy to use, minimalist, high-level, and easily extensible platform for quantum programming. Qumin's design concentrates on encompassing the…
We introduce Perceval, an open-source software platform for simulating and interfacing with discrete-variable photonic quantum computers, and describe its main features and components. Its Python front-end allows photonic circuits to be…
The simulation of quantum circuits on classical computers is an important problem in quantum computing. Such simulation requires representations of distributions over very large sets of basis vectors, and recent work has used symbolic…
Quantum-chemical subsystem and embedding methods require complex workflows that may involve multiple quantum-chemical program packages. Moreover, such workflows require the exchange of voluminous data that goes beyond simple quantities such…
Quantum systems with a large number of fermionic degrees of freedom are intractable by quantum simulations. In this paper we introduce the concept of a dedicated quantum simulator(DQS) which is an artificial system of quantum dots whose…
We present a composable design scheme for the development of hybrid quantum/classical algorithms and workflows for applications of quantum simulation. Our object-oriented approach is based on constructing an expressive set of common data…