Related papers: XDiag: Exact Diagonalization for Quantum Many-Body…
The accurate treatment of electron correlation in extended molecular systems remains computationally challenging using classical electronic structure methods. Hybrid quantum-classical algorithms offer a potential route to overcome these…
Quantum-chemical simulations are essential for predicting energies of chemical reactions. Accurately solving the many-body Schr\"odinger equation for reagent and product states of most relevant chemical process is, however, unfeasible.…
An exact analytical diagonalization is used to solve the two dimensional Extended Hubbard Model for system with finite size. We have considered an Extended Hubbard Model (EHM) including on-site and off-site interactions with interaction…
Avalanches are believed to be the mechanism behind the transition from many-body localization to the thermal phase. We utilize spin chains with constraints to study the physics of quantum avalanches by exact diagonalization of disordered…
Entity resolution (ER; also known as record linkage or de-duplication) is the process of merging noisy databases, often in the absence of unique identifiers. A major advancement in ER methodology has been the application of Bayesian…
We present a new open-source Python package for exact diagonalization and quantum dynamics of spin(-photon) chains, called QuSpin, supporting the use of various symmetries in 1-dimension and (imaginary) time evolution for chains up to 32…
High-density electroencephalography (HD-EEG) enables fine-grained measurement of cortical activity but requires expensive hardware and lengthy setup times, limiting its clinical and research accessibility. We propose EMAG (EEG Mixture of…
Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density…
The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…
The exploitation of space group symmetries in numerical calculations of periodic crystalline solids accelerates calculations and provides physical insight. We present results for a space-group symmetry adaptation of electronic structure…
We present a major update to QuSpin, SciPostPhys.2.1.003 -- an open-source Python package for exact diagonalization and quantum dynamics of arbitrary boson, fermion and spin many-body systems, supporting the use of various (user-defined)…
Quantum control in large dimensional Hilbert spaces is essential for realizing the power of quantum information processing. For closed quantum systems the relevant input/output maps are unitary transformations, and the fundamental challenge…
Strongly correlated fermionic systems are of great interest in condensed matter physics and numerical methods are indispensable tools for their study. However, existing approaches such as exact diagonalization (ED) and stochastic quantum…
Exact diagonalization is a well-established method for simulating small quantum systems. Its applicability is limited by the exponential growth of the so-called Hamiltonian matrix that needs to be diagonalized. Physical symmetries are…
Fidimag is an open-source scientific code for the study of magnetic materials at the nano- or micro-scale using either atomistic or finite difference micromagnetic simulations, which are based on solving the Landau-Lifshitz-Gilbert…
We present Polfed$.$jl, an open-source Julia package implementing the Polynomially Filtered Exact Diagonalization (POLFED) algorithm for computing mid-spectrum eigenvalues and eigenvectors (shortly, eigenpairs) of quantum many-body…
Large-scale overlapping problems are prevalent in practical engineering applications, and the optimization challenge is significantly amplified due to the existence of shared variables. Decomposition-based cooperative coevolution (CC)…
The low temperature thermodynamics of correlated 1D fermionic models with spin and charge degrees of freedom is obtained by exact diagonalization (ED) of small systems and followed by density matrix renormalization group (DMRG) calculations…
There has been recent interest in the relaxational modes of small-scale fully connected systems of aligning self-propelled particles (Spera et al., Phys. Rev. Lett. {\bf 132}: 078301 (2024)). We revisit the classical connection between…
Configuration-interaction-type calculations on electronic and vibrational structure are often the method of choice for the reliable approximation of many-particle wave functions and energies. The exponential scaling, however, limits their…