Related papers: XDiag: Exact Diagonalization for Quantum Many-Body…
Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when…
Adiabatic quantum computing enables the preparation of many-body ground states. This is key for applications in chemistry, materials science, and beyond. Realisation poses major experimental challenges: Direct analog implementation requires…
Recently, sample-based quantum diagonalization (SQD) has emerged as a promising approach to compute ground and excited states of problem Hamiltonians.This method classically diagonalizes a Hamiltonian in a subspace that is spanned by…
Ensemble density functional theory (eDFT) is an exact time-independent alternative to time-dependent DFT (TD-DFT) for the calculation of excitation energies. Despite its formal simplicity and advantages in contrast to TD-DFT (multiple…
Recently, digitized-counterdiabatic (CD) corrections to the quantum approximate optimization algorithm (QAOA) have been proposed, yielding faster convergence within the desired accuracy than standard QAOA. In this manuscript, we apply this…
Systems that involve N identical interacting particles under quantum confinement appear throughout many areas of physics, including chemical, condensed matter, and atomic physics. In this paper, we present the methods of dimensional…
We propose and implement a comprehensive quantum compilation toolkit for solving the maximum independent set (MIS) problem on quantum hardware based on Rydberg atom arrays. Our end-to-end pipeline involves three core components to…
We present a highly flexible computational scheme for studying correlated electrons confined by an arbitrary external potential in two-dimensional semiconductor quantum dots. The method starts by a Lagrange mesh calculation for the…
We present the software design of Gridap, a novel finite element library written exclusively in the Julia programming language, which is being used by several research groups world-wide to simulate complex physical phenomena such as…
Current dense symmetric eigenvalue (EIG) and singular value decomposition (SVD) implementations may suffer from the lack of concurrency during the tridiagonal and bidiagonal reductions, respectively. This performance bottleneck is typical…
Quantum simulation is a prominent application of quantum computers. While there is extensive previous work on simulating finite-dimensional systems, less is known about quantum algorithms for real-space dynamics. We conduct a systematic…
Physical simulations based on partial differential equations typically generate spatial fields results, which are utilized to calculate specific properties of a system for engineering design and optimization. Due to the intensive…
Algebraic multigrid (AMG) is a widely used scalable solver and preconditioner for large-scale linear systems resulting from the discretization of a wide class of elliptic PDEs. While AMG has optimal computational complexity, the cost of…
One key challenge in the study of nonadiabatic dynamics in open quantum systems is to balance computational efficiency and accuracy. Although Ehrenfest dynamics (ED) is computationally efficient and well-suited for large complex systems, ED…
Entanglement forging based variational algorithms leverage the bi-partition of quantum systems for addressing ground state problems. The primary limitation of these approaches lies in the exponential summation required over the numerous…
In the context of real-space renormalization group methods, we propose a novel scheme for quantum systems defined on a D-dimensional lattice. It is based on a coarse-graining transformation that attempts to reduce the amount of entanglement…
We explore the use of exact diagonalization methods for solving the self consistent equations of the cellular dynamical mean field theory (CDMFT) for the one dimensional regular and extended Hubbard models. We investigate the nature of the…
A method is proposed to improve the accuracy of approximate techniques for strongly correlated electrons that use reduced Hilbert spaces. As a first step, the method involves a change of basis that incorporates exactly part of the short…
Rydberg-cavity systems are emerging as promising platforms for quantum simulation and quantum information processing. These hybrid architectures combine two complementary interaction mechanisms: cavity photons mediate collective long-range…
We outline a rigorous method which can be used to solve the many-body Schroedinger equation for a Coulomb interacting electronic system in an external classical magnetic field as well as a quantized electromagnetic field. Effects of the…