Related papers: QwaveMPS: An efficient open-source Python package …
We present the TRIQS library, a Toolbox for Research on Interacting Quantum Systems. It is an open-source, computational physics library providing a framework for the quick development of applications in the field of many-body quantum…
We explore the task of learning about the dynamics of a Markovian open quantum system by monitoring the information it radiates into its environment. For an open system with Hilbert space dimension $D$, the quantum state of the emitted…
Path integral molecular dynamics (PIMD), which maps a quantum particle onto a fictitious classical system of ring polymers and propagates the "beads" of this extended classical system using molecular dynamics, is widely used to capture…
Kwant is a Python package for numerical quantum transport calculations. It aims to be an user-friendly, universal, and high-performance toolbox for the simulation of physical systems of any dimensionality and geometry that can be described…
The accurate description of large molecular systems in complex environments remains an ongoing challenge for the field of computational chemistry. This problem is even more pronounced for photo-induced processes, as multiple excited…
The wavelet scattering transform is an invariant signal representation suitable for many signal processing and machine learning applications. We present the Kymatio software package, an easy-to-use, high-performance Python implementation of…
The theoretical investigation of non-adiabatic processes is hampered by the complexity of the coupled electron-nuclear dynamics beyond the Born-Oppenheimer approximation. Classically, the simulation of such reactions is limited by the…
There has been a problem of gauge ambiguities with the Rabi Hamiltonian due to the fact that it can be derived from two formally different but physically equivalent fundamental Hamiltonians. This problem has recently been resolved for…
The development of quantum computers needs reliable quantum hardware and tailored software for controlling electronics specific to various quantum platforms. Middleware is a type of computer software program that aims to provide…
In this paper, we present an application of the variational quantum simulation (VQS) framework to capture finite-temperature open-system dynamics on near-term quantum hardware. By embedding the generalized amplitude-damping channel into the…
We present an efficient tensor-network-based approach for simulating large-scale quantum circuits, demonstrated using Quantum Support Vector Machines (QSVMs). Our method effectively reduces exponential runtime growth to near-quadratic…
TBPLaS is an open-source software package for the accurate simulation of physical systems with arbitrary geometry and dimensionality utilizing the tight-binding (TB) theory. It has an intuitive object-oriented Python application interface…
Kinetic simulations of collisionless (or weakly collisional) plasmas using the Vlasov equation are often infeasible due to high resolution requirements and the exponential scaling of computational cost with respect to dimension. Recently,…
We propose a way to construct a thermal pure quantum matrix product state (TPQ-MPS) that can simulate finite temperature quantum many-body systems with a minimal numerical cost comparable to the matrix product algorithm for the ground…
We introduce QSTToolkit, a Python library for performing quantum state tomography (QST) on optical quantum state measurement data. The toolkit integrates traditional Maximum Likelihood Estimation (MLE) with deep learning-based techniques to…
Linear operators and optimisation are at the core of many algorithms used in signal and image processing, remote sensing, and inverse problems. For small to medium-scale problems, existing software packages (e.g., MATLAB, Python numpy and…
qcombo is a Python package for the symbolic evaluation of commutators between general quantum many-body operators expressed in normal-ordered form using the generalized Wick theorem. The package provides an automated and systematic…
Quantum simulation of non-Markovian open quantum dynamics is essential but challenging for standard quantum computers due to their non-Hermitian nature, leading to non-unitary evolution, and the limitations of available quantum resources.…
Data representation in quantum state space offers an alternative function space for machine learning tasks. However, benchmarking these algorithms at a practical scale has been limited by ineffective simulation methods. We develop a quantum…
Scalable quantum algorithms for the simulation of quantum many-body systems in thermal equilibrium are important for predicting properties of quantum matter at finite temperatures. Here we describe and benchmark a quantum computing version…