Related papers: The Electronic Structure of the Hydrogen Molecule:…
The simulation of electronic systems is an anticipated application for quantum-centric computers, i.e. heterogeneous architectures where classical and quantum processing units operate in concert. An important application is the computation…
We present a pedagogical introduction to a series of quantum computing algorithms for the simulation of classical fluids, with special emphasis on the Carleman-Lattice Boltzmann method.
The intersection of Quantum Chemistry and Quantum Computing has led to significant advancements in understanding the potential of using quantum devices for the efficient calculation of molecular energies. Simultaneously, this intersection…
An algorithm for quantum computing Hamiltonian cycles of simple, cubic, bipartite graphs is discussed. It is shown that it is possible to evolve a quantum computer into an entanglement of states which map onto the set of all possible paths…
Atomic effective one-electron potentials in a compact analytic form in terms of a few Gaussian charge distributions are developed, for Hydrogen through Nobelium, for starting molecular electronic structure calculations by a simple…
The Hilbert space formalism of quantum mechanics is reviewed with emphasis on applications to quantum computing. Standard interferomeric techniques are used to construct a physical device capable of universal quantum computation. Some…
This study considers implementations of error correction in a simulation language on a classical computer. Error correction will be necessarily in quantum computing and quantum information. We will give some examples of the implementations…
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…
We present a pedagogical introduction to the current state of quantum computing algorithms for the simulation of classical fluids. Different strategies, along with their potential merits and liabilities, are discussed and commented on.
Effective equations are often useful to extract physical information from quantum theories without having to face all technical and conceptual difficulties. One can then describe aspects of the quantum system by equations of classical type,…
A hierarchical ordering is demonstrated for the periodic orbits in a strongly coupled multidimensional Hamiltonian system, namely the hydrogen atom in crossed electric and magnetic fields. It mirrors the hierarchy of broken resonant tori…
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 computers are reaching one crucial milestone after another. Motivated by their progress in quantum chemistry, we have performed an extensive series of simulations of quantum-computer runs that were aimed at inspecting best-practice…
We present a quantum-in-quantum embedding strategy coupled to machine learning potentials to improve on the accuracy of quantum-classical hybrid models for the description of large molecules. In such hybrid models, relevant structural…
Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…
We perform the calculation of all relativistic and quantum electrodynamic corrections of the order of $\alpha^6\,m$ to the ground electronic state of a hydrogen molecule and present improved results for the dissociation and the fundamental…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
In this introductory review, we focus on applications of quantum computation to problems of interest in physics and chemistry. We describe quantum simulation algorithms that have been developed for electronic-structure problems,…
We present several improvements to the standard Trotter-Suzuki based algorithms used in the simulation of quantum chemistry on a quantum computer. First, we modify how Jordan-Wigner transformations are implemented to reduce their cost from…
We study the semiclassical behaviour of a two--dimensional nonintegrable system. In particular we analyze the question of quantum corrections to the semiclassical quantization obtaining up to the second order of perturbation theory an…