Related papers: Evaluating Sample-Based Krylov Quantum Diagonaliza…

Variational hybrid quantum-classical algorithms are promising candidates for near-term implementation on quantum computers. In these algorithms, a quantum computer evaluates the cost of a gate sequence (with speedup over classical cost…

The spin-1/2 Heisenberg octahedral chain with regularly alternating monomeric and square-plaquette sites is investigated using various analytical and numerical methods: variational technique, localized-magnon approach, exact diagonalization…

We present a method for calculating the ground state energy of the Fermi-Hubbard model leveraging Rydberg atom processors and sample-based quantum diagonalization (SQD). By exploiting the perturbative relationship between the Fermi-Hubbard…

We propose a hybrid quantum-classical eigensolver to address the computational challenges of simulating strongly correlated quantum many-body systems, where the exponential growth of the Hilbert space and extensive entanglement render…

We utilize neural network quantum states (NQS) to investigate the ground state properties of the Heisenberg model on a Shastry-Sutherland lattice using the variational Monte Carlo method. We show that already relatively simple NQSs can be…

Diazirines and diazo compounds are widely employed as photoreactive precursors for generating carbenes, key intermediates in chemical biology and materials science. However, computationally modeling their reaction pathways remains…

Quantum magnetism in low dimensions has been one of the central areas of theoretical research for many decades now. One of the key reasons for the long standing interest in this field has been the existence of simplified models, which serve…

Tensor network methods as presented in our open source Matrix Product States software have opened up the possibility to study many-body quantum physics in one and quasi-one-dimensional systems in an easily accessible package similar to…

Within the framework of imaginary-time evolution for matrix product states, we introduce a cluster version of the infinite time-evolving block decimation algorithm for simulating quantum many-body systems, addressing the computational…

Employing exact diagonalization, we systematically study the anisotropic Heisenberg model which is related to rare-earth triangular-lattice materials. We probe its full 3D phase diagram afresh and identify a large region of quantum spin…

The sample-based quantum diagonalization (SQD) method shows great promise in quantum-centric simulations of ground state energies in molecular systems. Inclusion of solute-solvent interactions in simulations of electronic structure is…

We present an iterative generalisation of the quantum subspace expansion algorithm used with a Krylov basis. The iterative construction connects a sequence of subspaces via their lowest energy states. Diagonalising a Hamiltonian in a given…

We present a systematic study of the anisotropic spin-1/2 Heisenberg model in staggered magnetic fields in two dimensions (2D). To mimic real materials, we consider a system of coupled, antiferromagnetic chains, whose interchain interaction…

We focus on a recently developed generalized pseudospectral method for accurate, efficient treatment of certain central potentials of interest in various branches in quantum mechanics, usually having singularity. Essentially this allows…

We experimentally demonstrate that a hybrid quantum-classical algorithm can outperform purely classical, off-the-shelf selected configuration interaction methods. First, we construct a class of local Hamiltonian problems with sparse ground…

Ground-state properties of the two-dimensional $S=1/2$ random Heisenberg models are investigated by the exact-diagonalization method. The phase diagram of the bond-random model (the $\pm J$ model) is the same as that of the corresponding…

We consider finite-dimensional many-body quantum systems described by time-independent Hamiltonians and Markovian master equations, and present a systematic method for constructing smaller-dimensional, reduced models that exactly reproduce…

Ground-state fidelity (GSF) and quantum renormalization group theory (QRG) have proven useful tools in the study of quantum critical systems. Here we lay out a general, unified formalism of GSF and QRG; specifically, we propose a method to…

We study rotating squeezed quantum states created by a parametric resonance in an open harmonic system. As a specific realization of the phenomenon we study a mesoscopic SQUID loop where the state preparation procedure is simple in…

Disordered quantum antiferromagnets in two-dimensional compounds have been a focus of interest in the last years due to their exotic properties. However, with very few exceptions, the ground states of the corresponding Hamiltonians are…