Related papers: A Generic Approach to Electronic Structure Calcula…
Construction of explicit quantum circuits follows the notion of the "standard circuit model" introduced in the solid and profound analysis of elementary gates providing quantum computation. Nevertheless the model is not always optimal (e.g.…
We propose a framework for computing the structure and dynamics for second-quantized many-nucleon Hamiltonians on quantum computers. We develop an oracle-based Hamiltonian input model that computes the many-nucleon states and nonzero…
Quantum algorithms require accurate representations of electronic states on a quantum device, yet the approximation of electronic wave functions for strongly correlated systems remains a profound theoretical challenge, with existing methods…
We present a new approach to treat correlations in nonequilibrium quantum many-particle system. The method is based on ideas of configuration interaction theory of exact nonperturbative ground state electronic structure calculations. We use…
We establish a framework which allows one to construct novel schemes for measurement-based quantum computation. The technique further develops tools from many-body physics - based on finitely correlated or projected entangled pair states -…
Here we describe an approach for simulating electronic structure on quantum computers with significantly lower asymptotic complexity than prior work. The approach uses a real-space first-quantised representation of the molecular Hamiltonian…
High-precision atomic structure calculations require accurate modelling of electronic correlations typically addressed via the configuration interaction (CI) problem on a multiconfiguration wave function expansion. The latter can easily…
We present QCommute, a software tool implemented in C++ for symbolic computation of nested commutators between a Hamiltonian and local observables in quantum many-body spin-1/2 systems on one-, two-, and three-dimensional hypercubic…
Cluster states, a special type of highly entangled states, are a universal resource for measurement-based quantum computation. Here, we propose an efficient one-step generation scheme for cluster states in semiconductor quantum dot…
We propose a variational scheme to represent composite quantum systems using multiple parameterized functions of varying accuracies on both classical and quantum hardware. The approach follows the variational principle over the entire…
We describe a method that focuses sampling effort on a user-defined selection of a large system, which can lead to substantial decreases in computational effort by speeding up the calculation of nonbonded interactions. A naive approach can…
In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…
Within the general context of the architecture in quantum computer design, this paper aims is to provide a general strategy to obtain a block-matrix representation of quantum gates applied to qubits placed in arbitrary positions over an…
Gaussian states, operations, and measurements are central building blocks for continuous-variable quantum information processing which paves the way for abundant applications, especially including network-based quantum computation and…
We introduce a hybrid many-body approach that combines the flexibility of the No-Core Shell Model (NCSM) with the efficiency of Multi-Configurational Perturbation Theory (MCPT) to compute ground- and excited-state energies in arbitrary…
Accurate many-body treatments of condensed-phase systems are challenging because correlated solvers such as full configuration interaction (FCI) and the density matrix renormalization group (DMRG) scale exponentially with system size.…
In this paper, we address a general eigenstructure assignment problem where the objective is to distribute the closed-loop modes over the components of the system outputs in such a way that, if a certain mode appears in a given output, it…
As the complexity of mesoscopic quantum devices increases, simulations are becoming an invaluable tool for understanding their behavior. This is especially true for the superconductor-semiconductor heterostructures used to build…
Recently, it has been shown that the ground-state energy of a quantum many-body system can be written in terms of cumulants. In this paper we show that the energies of excited states can be expressed similarly. These representations are…
Generalized electrostatic quantum swap gate implemented in the chain of 2 double coupled quantum dots using single electron in semiconductor is presented in tight-binding simplistic model specifying both analytic and numerical results. The…