Related papers: Computational Chemistry on Quantum Computers
With the development of quantum many-body simulator, Hamiltonian tomography has become an increasingly important technique for verification of quantum devices. Here we investigate recovering the Hamiltonians of two spin chains with 2-local…
Determining the Hamiltonian of a quantum system is essential for understanding its dynamics and validating its behavior. Hamiltonian learning provides a data-driven approach to reconstruct the generator of the dynamics from measurements on…
In this dissertation I analyze Hamiltonian control of $d$-dimensional quantum systems as realized in alkali atomic spins. Alkali atoms provide an ideal platform for studies of quantum control due to the extreme precision with which the…
We present a universal quantum Monte Carlo algorithm for simulating arbitrary high-spin (spin greater than 1/2) Hamiltonians, based on the recently developed permutation matrix representation (PMR) framework. Our approach extends a…
The linear combination of unitaries (LCU) method has proven to scale better than existing product formulas in simulating long time Hamiltonian dynamics. However, given the number of multi-control gate operations in the standard…
Computationally efficient and accurate quantum mechanical approximations to solve the many-electron Schr\"odinger equation are at the heart of computational materials science. In that respect the coupled cluster hierarchy of methods plays a…
The abundant demand for deep learning compute resources has created a renaissance in low precision hardware. Going forward, it will be essential for simulation software to run on this new generation of machines without sacrificing…
The Hamiltonian operator plays a central role in quantum theory being a generator of unitary quantum dynamics. Its expectation value describes the energy of a quantum system. Typically being a non-unitary operator, the action of the…
We investigate two methods to reconstruct Hamiltonians of quantum matter, using a quantum spin chain to test them. The first method uses correlation functions and the second method uses entanglement spectra. The two methods are not specific…
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…
Obtaining the expectation value of an observable on a quantum computer is a crucial step in the variational quantum algorithms. For complicated observables such as molecular electronic Hamiltonians, a common strategy is to present the…
Simultaneous measurement of multiple Pauli strings (tensor products of Pauli matrices) is the basis for efficient measurement of observables on quantum computers by partitioning the observable into commuting sets of Pauli strings. We…
We propose a method of construction of a normalized vibrational Hamiltonian of a highly excited molecular system with $n$ degrees of freedom in the case of a a $p:q$ resonance. We present also the counting of all the independent operators…
Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…
Quantum simulation uses a well-known quantum system to predict the behavior of another quantum system. Certain limitations in this technique arise, however, when applied to specific problems, as we demonstrate with a theoretical and…
We design two variational algorithms to optimize specific 2-local Hamiltonians defined on graphs. Our algorithms are inspired by the Quantum Approximate Optimization Algorithm. We develop formulae to analyze the energy achieved by these…
For the variational quantum eigensolver we propose to generate trial wavefunctions from a small amount of selected Pauli terms of the problem Hamiltonian. Two different approaches, one inspired by the quantum approximate optimization…
Trotter and linear-combination-of-unitary (LCU) are two popular Hamiltonian simulation methods. We propose Hamiltonian simulation algorithms using LCU to compensate Trotter error, which enjoy both of their advantages. By adding few gates…
Classical algorithms for predicting the equilibrium geometry of strongly correlated molecules require expensive wave function methods that become impractical already for few-atom systems. In this work, we introduce a variational quantum…
Quantum simulations of lattice gauge theories for the foreseeable future will be hampered by limited resources. The historical success of improved lattice actions in classical simulations strongly suggests that Hamiltonians with improved…