Related papers: Electronic Structure Calculations and the Ising Ha…
To treat a problem with a Quantum Processing Unit (QPU), it must be transformed into a sequence of quantum operations, or gates: this is the quantum description of the problem. These operations are either packed into a query (i.e. quantum…
Quantum annealers are an alternative approach to quantum computing which make use of the adiabatic theorem to efficiently find the ground state of a physically realizable Hamiltonian. Such devices are currently commercially available and…
We demonstrate how to determine numerically nearly exact orthonormal orbitals that are optimal for evaluation of the energy of arbitrary (correlated) states of atoms and molecules by minimization of the energy Lagrangian. Orbitals are…
Hylleraas in 1929 carried out a variational computation on the Schrodinger equation for the helium atom which gave, for the first time, a ground-state energy in essential agreement with experimental results. Coolidge and James in 1933,…
Quantum simulation of the electronic structure problem is one of the most researched applications of quantum computing. The majority of quantum algorithms for this problem encode the wavefunction using $N$ Gaussian orbitals, leading to…
The growing challenges of scaling digital computing motivate new approaches, especially through the dynamical evolution of physical systems that mimic neural networks and combinatorial optimization problems. While light is a hyper efficient…
In recent years quantum simulation has made great strides culminating in experiments that operate in a regime that existing supercomputers cannot easily simulate. Although this raises the possibility that special purpose analog quantum…
Quantum simulations of many-body systems offer novel methods for probing the dynamics of the Standard Model and its constituent gauge theories. Extracting low-energy predictions from such simulations rely on formulating…
We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in previous work [Babbush et al., New…
A linear-time algorithm is presented for the construction of the Gibbs distribution of configurations in the Ising model, on a quantum computer. The algorithm is designed so that each run provides one configuration with a quantum…
We propose a quantum algorithm for inferring the molecular nuclear spin Hamiltonian from time-resolved measurements of spin-spin correlators, which can be obtained via nuclear magnetic resonance (NMR). We focus on learning the anisotropic…
Variational algorithms have received significant attention in recent years due to their potential to solve practical problems using noisy intermediate-scale quantum (NISQ) devices. A fundamental step of these algorithms is the evaluation of…
In this paper, we propose a map which connects nucleons bound in nuclei and Ising spins in Ising model. This proposal is based on the fact that the description of states of nucleons and Ising spins could share the same type of observables.…
Quantum computing has recently been emerging in theoretical chemistry as a realistic avenue meant to offer computational speedup to challenging eigenproblems in the context of strongly-correlated molecular systems or extended materials.…
Networks of optical oscillators simulating coupled Ising spins have been recently proposed as a heuristic platform to solve hard optimization problems. These networks, called coherent Ising machines (CIMs), exploit the fact that the…
In this article, we combine the periodic sinc basis set with a curvilinear coordinate system for electronic structure calculations. This extension allows for variable resolution across the computational domain, with higher resolution close…
Implementing the time evolution under a desired target Hamiltonian is critical for various applications in quantum science. Due to the exponential increase in the number of parameters with system size and experimental imperfections, this…
Since a pure quantum system is incapable of faithfully simulating the solutions of the Schroedinger equation that actually pertains to itself, it is proposed that quantum computing technology (as opposed to cryptographic technology) not be…
We present quantum simulation experiments of Ising-like spins on Platonic graphs, which are performed with two-dimensional arrays of Rydberg atoms and quantum-wire couplings. The quantum wires are used to couple otherwise uncoupled…
The methods which are actively used for electronic structure calculations of low-lying states of heavy- and superheavy-element compounds are briefly described. The advantages and disadvantages of calculations with the Dirac-Coulomb-Breit…