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Simulating noninteracting fermion systems is a common task in computational many-body physics. In absence of translational symmetries, modeling free fermions on $N$ modes usually requires poly$(N)$ computational resources. While often…
Quantum computers offer the potential to simulate nuclear processes that are classically intractable. With the goal of understanding the necessary quantum resources to realize this potential, we employ state-of-the-art…
Quantum computational chemistry (QCC) is the use of quantum computers to solve problems in computational quantum chemistry. We develop a high performance variational quantum eigensolver (VQE) simulator for simulating quantum computational…
Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…
The advent of fault-tolerant quantum computers marks a significant milestone, yet the development of practical quantum algorithms remains a critical challenge. Effective quantum algorithms are essential for leveraging the power of quantum…
Quantum computing (QC) promises to be a transformative technology with impact on various application domains, such as optimization, cryptography, and material science. However, the technology has a sharp learning curve, and practical…
We introduce Quantum Mechanics for Proteins (QMProt), a dataset developed to support quantum computing applications in protein research. QMProt contains precise quantum-mechanical and physicochemical data, enabling accurate characterization…
As a valid tool for solving ground state problems, imaginary time evolution (ITE) is widely used in physical and chemical simulations. Different ITE-based algorithms in their quantum counterpart have recently been proposed and applied to…
The quantum imaginary time evolution (QITE) algorithm is a direct implementation of the classical imaginary time evolution algorithm on quantum computer. We implement the QITE algorithm for the case of nuclear Hartree-Fock equations in a…
Electromagnetic simulations form an indispensable part of the design and optimization process for superconducting quantum devices. Although several commercial platforms exist, open-source alternatives optimized for high-performance…
Simulating fermionic systems on a quantum computer requires representing fermionic states using qubits. The complexity of many simulation algorithms depends on the complexity of implementing rotations generated by fermionic…
Distributed quantum computing (DQC) is a promising proposal for overcoming the scalability challenges of quantum computing. However, the evaluation of DQC hardware and software is difficult due to the relative dearth of classical simulation…
In this thesis, I investigate aspects of local Hamiltonians in quantum computing. First, I focus on the Adiabatic Quantum Computing model, based on evolution with a time dependent Hamiltonian. I show that to succeed using AQC, the…
Quantum compiling, a process that decomposes the quantum algorithm into a series of hardware-compatible commands or elementary gates, is of fundamental importance for quantum computing. We introduce an efficient algorithm based on deep…
Simulating molecular systems on quantum computers requires efficient mappings from Fermionic operators to qubit operators. Traditional mappings such as Jordan-Wigner or Bravyi-Kitaev often produce high-weight Pauli terms, increasing circuit…
As quantum computers become available to the general public, the need has arisen to train a cohort of quantum programmers, many of whom have been developing classical computer programs for most of their careers. While currently available…
Quantum computers can be used to calculate the electronic structure and estimate the ground state energy of many-electron molecular systems. In the present study, we implement the Variational Quantum Eigensolver (VQE) algorithm, as a hybrid…
Quantum algorithms offer significant speedups over their classical counterparts for a variety of problems. The strongest arguments for this advantage are borne by algorithms for quantum search, quantum phase estimation, and Hamiltonian…
We propose a high-performance state-vector emulator of a gate-based quantum processors developed in the Rust programming language. It supports OpenQASM 2.0 programming language for quantum circuits specification and has a user-friendly…
We introduce a versatile method for preparing a quantum state whose amplitudes are given by some known function. Unlike existing approaches, our method does not require handcrafted reversible arithmetic circuits, or quantum table reads, to…