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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Quantum simulations of excited states with active-space downfolded Hamiltonians

Many-body techniques based on the double unitary coupled cluster ansatz (DUCC) can be used to downfold electronic Hamiltonians into low-dimensional active spaces. It can be shown that the resulting dimensionality reduced Hamiltonians are amenable for quantum computing. Recent studies performed for several benchmark systems using quantum phase estimation (QPE) algorithms demonstrated that these formulations can recover a significant portion of ground-state dynamical correlation effects that stem from the electron excitations outside of the active space. These results have also been confirmed in studies of ground-state potential energy surfaces using quantum simulators. In this letter, we study the effectiveness of the DUCC formalism in describing excited states. We also emphasize the role of the QPE formalism and its stochastic nature in discovering/identifying excited states or excited-state processes in situations when the knowledge about the true configurational structure of a sought after excited state is limited or postulated (due to the specific physics driving excited-state processes of interest). In this context, we can view the QPE algorithm as an engine for verifying various hypotheses for excited-state processes and providing statistically meaningful results that correspond to the electronic state(s) with the largest overlap with a postulated configurational structure. We illustrate these ideas on examples of strongly cor- related molecular systems, characterized by small energy gaps and high density of quasi-degenerate states around the Fermi level.

quantum chemistry, quantum computing, computationa↗
DOE OSTI2022

A quantum hamiltonian simulation benchmark

Hamiltonian simulation is one of the most important problems in quantum computation, and quantum singular value transformation (QSVT) is an efficient way to simulate a general class of Hamiltonians. However, the QSVT circuit typically involves multiple ancilla qubits and multi-qubit control gates. In order to simulate a certain class of n-qubit random Hamiltonians, we propose a drastically simplified quantum circuit that we refer to as the minimal QSVT circuit, which uses only one ancilla qubit and no multi-qubit controlled gates. We formulate a simple metric called the quantum unitary evolution score (QUES), which is a scalable quantum benchmark and can be verified without any need for classical computation. Under the globally depolarized noise model, we demonstrate that QUES is directly related to the circuit fidelity, and the potential classical hardness of an associated quantum circuit sampling problem. Under the same assumption, theoretical analysis suggests there exists an ‘optimal’ simulation time t opt ≈ 4.81, at which even a noisy quantum device may be sufficient to demonstrate the potential classical hardness.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

An Algebraic Quantum Circuit Compression Algorithm for Hamiltonian Simulation

Quantum computing is a promising technology that harnesses the peculiarities of quantum mechanics to deliver computational speedups for some problems that are intractable to solve on a classical computer. Current generation noisy intermediate-scale quantum (NISQ) computers are severely limited in terms of chip size and error rates. Shallow quantum circuits with uncomplicated topologies are essential for successful applications in the NISQ era. In this work, based on matrix analysis, we derive localized circuit transformations to efficiently compress quantum circuits for simulation of certain spin Hamiltonians known as free fermions. The depth of the compressed circuits is independent of simulation time and grows linearly with the number of spins. The proposed numerical circuit compression algorithm behaves backward stable and scales cubically in the number of spins enabling circuit synthesis beyond O(10 3 ) spins. The resulting quantum circuits have a simple nearest-neighbor topology, which makes them ideally suited for NISQ devices.

Hamiltonian simulation↗
DOE OSTI2021

Parametrized Hamiltonian simulation using quantum optimal control

Analog quantum simulation offers a hardware-specific approach to studying quantum dynamics, but mapping a model Hamiltonian onto the available device parameters requires matching the hardware dynamics. In this work, we introduce a paradigm for quantum Hamiltonian simulation that leverages digital decomposition techniques and optimal control to perform analog simulation. We validate this approach by constructing the optimal analog controls for a superconducting transmon device to emulate the dynamics of an extended Bose-Hubbard model. We demonstrate the role of control time, digital error, and pulse complexity, and we explore the accuracy and robustness of these controls. We conclude by discussing the opportunity for implementing this paradigm in near-term quantum devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2023

Improved Fermion Hamiltonians for Quantum Simulations

Constructing improved hamiltonians for gauge theories coupled to fermonic matter will be important for improving continuum limit extrapolations of quantum computations. In this talk we will present a formulation for simulating ASQTAD fermions for lattice computation and provide fault tolerant resource costs in terms of primitive group operations. We additionally show that the scaling of energies with respect to the lattice spacing are better than for the unimproved Hamiltonian for toy models.

Quantum Algorithms↗
NASA NTRSDate not supplied

Improved Fermion Hamiltonians for Quantum Simulations

Constructing improved hamiltonians for gauge theories coupled to fermonic matter will be important for improving continuum limit extrapolations of quantum computations. In this talk we will present a formulation for simulating ASQTAD fermions for lattice computation and provide fault tolerant resource costs in terms of primitive group operations. We additionally show that the scaling of energies with respect to the lattice spacing are better than for the unimproved Hamiltonian for toy models.

Erik Joseph Gustafson↗
NASA NTRSDate not supplied

Improved Fermion Hamiltonians for Quantum Simulations

Constructing improved hamiltonians for gauge theories coupled to fermonic matter will be important for improving continuum limit extrapolations of quantum computations. In this talk we will present a formulation for simulating ASQTAD fermions for lattice computation and provide fault tolerant resource costs in terms of primitive group operations. We additionally show that the scaling of energies with respect to the lattice spacing are better than for the unimproved Hamiltonian for toy models.

Erik Gustafson↗
DOE OSTI2023

Improved Fermion Hamiltonians for Quantum Simulation

We developed a Hamiltonian inspired by ASQTAD and highly improved staggered quark (HISQ) actions and show how these Hamiltonians can be used for quantum simulations. Gate costs for the time evolution of these improved Hamiltonians are provided as well as a demonstration of the reduction of lattice spacing errors using the 1+1d lattice Schwinger model.

Gustafson, Erik↗
DOE OSTI2025

Improved honeycomb and hyperhoneycomb lattice Hamiltonians for quantum simulations of non-Abelian gauge theories

Improved Kogut-Susskind Hamiltonians for quantum simulations of non-Abelian Yang-Mills gauge theories are developed for honeycomb (2+1⁢D) and hyperhoneycomb (3+1⁢D) spatial tessellations. This is motivated by the desire to identify lattices for quantum simulations that involve only 3-link vertices among the gauge field group spaces in order to reduce the complexity in applications of the plaquette operator. For the honeycomb lattice, we derive a classically 𝒪⁡(𝑏 2 )-improved Hamiltonian, with 𝑏 being the lattice spacing. Tadpole improvement via the mean-field value of the plaquette operator is used to provide the corresponding quantum improvements. We have identified the (nonchiral) hyperhoneycomb as a candidate spatial tessellation for 3+1⁢D quantum simulations of gauge theories, and determined the associated 𝒪⁡(𝑏)-improved Hamiltonian.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Qutrit circuits and algebraic relations: A pathway to efficient spin-1 Hamiltonian simulation

Quantum information processing has witnessed significant advancements through the application of qubit-based techniques within universal gate sets. Recently, exploration beyond the qubit paradigm to d -dimensional quantum units or qudits has opened new avenues for improving computational efficiency. This paper delves into the qudit-based approach, particularly addressing the challenges presented in the high-fidelity implementation of qudit-based circuits due to increased complexity. As an innovative approach towards enhancing qudit circuit fidelity, we explore algebraic relations, such as the Yang-Baxter-like turnover equation, which may enable circuit compression and optimization. The paper introduces the turnover relation for the three-qutrit time propagator and its potential use in reducing circuit depth. We further investigate whether this relation can be generalized for higher-dimensional quantum circuits, including a focused study on the one-dimensional spin-1 Heisenberg model. Our paper outlines both rigorous and numerically efficient approaches to potentially achieve this generalization, providing a foundation for further explorations in the field of qudit-based quantum computing.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Mana and thermalization: Probing the feasibility of near-Clifford Hamiltonian simulation

Quantum hydrodynamics is the emergent classical dynamics governing transport of conserved quantities in generic strongly interacting quantum systems. Here, recent matrix product operator methods [1,2] have made simulations of quantum hydrodynamics in 1+1D tractable, but they do not naturally generalize to 2+1D or higher, and they offer limited guidance as to the difficulty of simulations on quantum computers. Near-Clifford simulation algorithms are not limited to one dimension, and future error-corrected quantum computers will likely be bottlenecked by non-Clifford operations. We therefore investigate the non-Clifford resource requirements for simulation of quantum hydrodynamics using mana, a resource theory of non-Clifford operations. For infinite-temperature starting states, we find that the mana of subsystems quickly approaches zero, while for starting states with energy above some threshold the mana approaches a nonzero value. Surprisingly, in each case the finite-time mana is governed by the subsystem entropy, not the thermal state mana; we argue that this is because mana is a sensitive diagnostic of finite-time deviations from canonical typicality.

1-dimensional spin chains↗
DOE OSTI2024

Qutrit Circuits and Algebraic Relations: A Pathway to Efficient Spin-1 Hamiltonian Simulation

Quantum information processing has witnessed significant advancements through the application of qubit- based techniques within universal gate sets. Recently, exploration beyond the qubit paradigm to d-dimensional quantum units or qudits has opened new avenues for improving computational efficiency. This paper delves into the qudit-based approach, particularly addressing the challenges presented in the high-fidelity implementation of qudit-based circuits due to increased complexity. As an innovative approach towards enhancing qudit circuit fidelity, we explore algebraic relations, such as the Yang-Baxter-like turnover equation, which may enable circuit compression and optimization. The paper introduces the turnover relation for the three-qutrit time propagator and its potential use in reducing circuit depth. We further investigate whether this relation can be generalized for higher-dimensional quantum circuits, including a focused study on the one-dimensional spin-1 Heisenberg model. Our paper outlines both rigorous and numerically efficient approaches to potentially achieve this generalization, providing a foundation for further explorations in the field of qudit-based quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Simulating Open Quantum Systems Using Hamiltonian Simulations

We present a novel method to simulate the Lindblad equation, drawing on the relationship between Lindblad dynamics, stochastic differential equations, and Hamiltonian simulations. We derive a sequence of unitary dynamics in an enlarged Hilbert space that can approximate the Lindblad dynamics up to an arbitrarily high order. This unitary representation can then be simulated using a quantum circuit that involves only Hamiltonian simulation and tracing out the ancilla qubits. There is no need for additional postselection in measurement outcomes, ensuring a success probability of one at each stage. Our method can be directly generalized to the time-dependent setting. We provide numerical examples that simulate both time-independent and time-dependent Lindbladian dynamics with accuracy up to the third order. Published by the American Physical Society 2024

Ding, Zhiyan (ORCID:000000018863403X)↗
NASA NTRS2023

Improved Fermion Hamiltonians for Quantum Simulation

The Symanzik improvement program has been quite successful in classical simulations of quantum chromodynamics allowing calculations to be performed at coarser lattice spacings and with reduced computational resource costs. It is expected that improved Hamiltonians will be essential to simulate lattice field theories using quantum computers. In this work I will discuss the formulation of an ASQTAD and HISQ Hamiltonian amenable for quantum simulations. I will also show preliminary results that demonstrate significant tree-level contributions are removed in the spectrum of the 1 flavor Schwinger model.

quantum computing↗
DOE OSTI2025

Fully gauge-fixed SU(2) Hamiltonian for quantum simulations

Here, we demonstrate how to construct a fully gauge-fixed lattice Hamiltonian for a pure SU(2) gauge theory. Our work extends upon previous work, where a formulation of an SU(2) lattice gauge theory was developed that is efficient to simulate at all values of the gauge coupling. That formulation utilized maximal-tree gauge, where all local gauge symmetries are fixed and a residual global gauge symmetry remains. By using the geometric picture of an SU(2) lattice gauge theory as a system of rotating rods, we demonstrate how to fix the remaining global gauge symmetry. In particular, the quantum numbers associated with total charge can be isolated by rotating between the lab and body frames using the three Euler angles. The Hilbert space in this new “sequestered” basis partitions cleanly into sectors with differing total angular momentum, which makes gauge-fixing to a particular total charge sector trivial, particularly for the charge-zero sector. In addition to this sequestered basis inheriting the property of being efficient at all values of the coupling, we show that, despite the global nature of the final gauge-fixing procedure, this Hamiltonian can be simulated using quantum resources scaling only polynomially with the lattice volume.

Lattice gauge theory↗
DOE OSTI2023

Simple Hamiltonian for quantum simulation of strongly coupled $(2+1)D$ SU(2) lattice gauge theory on a honeycomb lattice

Here, we find a simple spin Hamiltonian to describe physical states of $(2+1)$-dimensional SU(2) lattice gauge theory on a honeycomb lattice with a truncation of the electric field representation at $j_{max}=\frac{1}{2}$. The simple spin Hamiltonian contains only local products of Pauli matrices, even though Gauss’s law has been completely integrated out.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗