Related papers: The Electronic Structure of the Hydrogen Molecule:…
This thesis explores hybrid algorithms that combine classical and quantum computing to enhance the performance of classical algorithms. Two approaches are studied: a hybrid search and sample optimization algorithm and a classical algorithm…
We present an overall picture of the advances in the description of black hole physics from the perspective of loop quantum gravity. After an introduction that discusses the main conceptual issues we present some details about the classical…
Quantum chemistry simulations of some industrially relevant molecules are reported, employing variational quantum algorithms for near-term quantum devices. The energies and dipole moments are calculated along the dissociation curves for…
Quantum algorithms for scientific computing require modules implementing fundamental functions, such as the square root, the logarithm, and others. We require algorithms that have a well-controlled numerical error, that are uniformly…
Electronic decoherence processes in molecules and materials are usually thought and modeled via schemes for the system-bath evolution in which the bath is treated either implicitly or approximately. Here we present computations of the…
We derive the Hamiltonian in the rotating frame for NMR quantum computing with homonucleus molecules as its computational resource. The Hamiltonian thus obtained is different from conventional Hamiltonians that appear in literature. It is…
Achieving control over the electron spin in quantum dots (artificial atoms) or real atoms promises access to new technologies in conventional and in quantum information processing. Here we review our proposal for quantum computing with…
A new physical implementation for quantum computation is proposed. The vibrational modes of molecules are used to encode qubit systems. Global quantum logic gates are realized using shaped femtosecond laser pulses which are calculated…
Quantum machine learning has emerged as a promising application domain for near-term quantum hardware, particularly through hybrid quantum-classical models that leverage both classical and quantum processing. Although numerous hybrid…
Quantum mechanics has introduced a new theoretical framework for the study of molecules, enabling the prediction of properties and dynamics through the solution of the Schr\"odinger equation applied to these systems. However, solving this…
Quantum computing is a growing field at the intersection of physics and computer science. This module introduces three of the key principles that govern how quantum computers work: superposition, quantum measurement, and entanglement. The…
An introduction to the Quantum Chemistry Package (QCP), implemented in the computer algebra system Maple, is presented. The QCP combines sophisticated electronic structure methods and Maple's easy-to-use graphical interface to enable…
A method for constructing semianalytical strongly correlated wave functions for single and molecular quantum dots is presented. It employs a two-step approach of symmetry breaking at the Hartree-Fock level and of subsequent restoration of…
We elaborate the idea of quantum computation through measuring the correlation of a gapped ground state, while the bulk Hamiltonian is utilized to stabilize the resource. A simple computational primitive, by pulling out a single spin…
In this paper, the principles of the general relativity are used to formulate quantum wave equations for spin-0 and spin-1/2 particles. More specifically, the equations are worked in a Schwarzschild-like metric. As a test, the hydrogen atom…
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…
A number of exciting recent results have been seen in the field of quantum error correction. These include initial demonstrations of error correction on current quantum hardware, and resource estimates which improve understanding of the…
Quantum chemistry simulations on a quantum computer suffer from the overhead needed for encoding the fermionic problem in a bosonic system of qubits. By exploiting the block diagonality of a fermionic Hamiltonian, we show that the number of…
The simulation of molecules is a widely anticipated application of quantum computers. However, recent studies \cite{WBCH13a,HWBT14a} have cast a shadow on this hope by revealing that the complexity in gate count of such simulations…
We apply numerical optimization and linear algebra algorithms for classical computers to the problem of automatically synthesizing algorithms for quantum computers. Using our framework, we apply several common techniques from these…