arXiv subjects

J. K. Freericks

Publications and source records attributed to J. K. Freericks.

At least 19 recordsLinked to original sources

arXiv2025

Classical reservoir approach for efficient molecular ground state preparation

Ground state preparation is a central application of quantum algorithms for electronic structure. We introduce the classical reservoir approach, a low cost variational ansatz tailored to near-term hardware, requiring only nearest-neighbor interactions on a machine with square-lattice connectivity. Unlike traditional methods built from the classically efficient Hartree Fock theory, our ansatz operates in localized molecular orbitals to study previously unexplored regions of the variational parameter space. Numerical benchmarks demonstrate chemical accuracy across diverse systems and bond lengths; notably, significantly reduced circuit depths are attainable when relaxed error thresholds (e.g., tens of E_h) are permissible. We benchmark the method on hydrogen chains, N_2, O_2, CO, BeH_2, and H_2O, the latter corresponding to an effective 24 qubit calculation.

quant-ph↗

arXiv2025

Out-of-time ordered correlation functions for the localized $f$ electrons in the Falicov-Kimball model

We provide an exact evaluation of the out-of-time correlation (OTOC) functions for the localized $f$-particle states in the Falicov-Kimball model within dynamical mean-field theory. Different regimes of quantum chaos and quantum scrambling are distinguished by the winding numbers of the block Toeplitz matrices used in the calculation. The similarities of these fermionic OTOCs and their logarithmic derivatives for time evolution with the OTOCs for quantum spin models with disorder are also discussed.

cond-mat.str-el↗

arXiv2025

Probing Bound State Relaxation Dynamics in Systems Out-of-Equilibrium on Quantum Computers

Pump-probe spectroscopy is a powerful tool for probing response dynamics of quantum many-body systems in and out-of-equilibrium. Quantum computers have proved useful in simulating such experiments by exciting the system, evolving, and then measuring observables to first order, all in one setting. Here, we use this approach to investigate the mixed-field Ising model, where the longitudinal field plays the role of a confining potential that prohibits the spread of the excitations, spinons, or domain walls into space. We study the discrete bound states that arise from such a setting and their evolution under different quench dynamics by initially pumping the chain out of equilibrium and then probing various non-equal time correlation functions. Finally, we study false vacuum decay, where initially one expects unhindered propagation of the ground state, or true vacuum, bubbles into the lattice, but instead sees the emergence of Bloch oscillations that are directly the reason for the long-lived oscillations in this finite-size model. Our work sets the stage for simulating systems out-of-equilibrium on classical and quantum computers using pump-probe experiments without needing ancillary qubits.

quant-ph↗

arXiv2025

Theoretical description of atomtronic Josephson junctions in an optical lattice

Experimental realizations of ``atomtronic" Josephson junctions have recently been created in annular traps in relative rotation with respect to potential barriers that generate the weak links. If these devices are additionally subjected to an optical lattice potential, then they can incorporate strong-coupling Mott physics within the design, which can modify the behavior and can allow for interesting new configurations of barriers and of superfluid flow patterns. We examine theoretically the behavior of a Bose superfluid in an optical lattice in the presence of an annular trap and a barrier across the annular region which acts as a Josephson junction. As the superfluid is rotated, circulating super-currents appear. Beyond a threshold superfluid velocity, phase slips develop, which generate vortices. We use a finite temperature strong-coupling expansion about the mean-field solution of the Bose Hubbard model to calculate various properties of such devices. In addition, we discuss some of the rich behavior that can result when there are Mott regions within the system.

cond-mat.quant-gas↗

arXiv2025

Efficient Fermi-Hubbard model ground-state preparation by coupling to a classical reservoir in the instantaneous-response limit

Preparing the ground state of the Fermi-Hubbard model is challenging, in part due to the exponentially large Hilbert space, which complicates efficiently finding a path from an initial state to the ground state using the variational principle. In this work, we propose an approach for ground state preparation of interacting models by involving a classical reservoir, simplified to the instantaneous-response limit, which can be described using a Hamiltonian formalism. The resulting time evolution operator consist of spin-adapted nearest-neighbor hopping and on-site interaction terms similar to those in the Hubbard model, without expanding the Hilbert space. We can engineer the coupling to rapidly drive the system from an initial product state to its interacting ground state by numerically minimizing the final state energy. This ansatz closely resembles the Hamiltonian variational ansatz, offering a fresh perspective on it.

quant-ph↗

arXiv2024

Outcomes from a Workshop on a National Center for Quantum Education

In response to numerous programs seeking to advance quantum education and workforce development in the United States, experts from academia, industry, government, and professional societies convened for a National Science Foundation-sponsored workshop in February 2024 to explore the benefits and challenges of establishing a national center for quantum education. Broadly, such a center would foster collaboration and build the infrastructure required to develop a diverse and quantum-ready workforce. The workshop discussions centered around how a center could uniquely address gaps in public, K-12, and undergraduate quantum information science and engineering (QISE) education. Specifically, the community identified activities that, through a center, could lead to an increase in student awareness of quantum careers, boost the number of educators trained in quantum-related subjects, strengthen pathways into quantum careers, enhance the understanding of the U.S. quantum workforce, and elevate public engagement with QISE. Core proposed activities for the center include professional development for educators, coordinated curriculum development and curation, expanded access to educational laboratory equipment, robust evaluation and assessment practices, network building, and enhanced public engagement with quantum science.

physics.ed-ph↗

arXiv2024

Hidden local adiabatic ramp in the modulated time evolution and the quantum approximate optimization algorithm

Adiabatic state preparation provides an analytical solution for generating the ground state of a target Hamiltonian, starting from an easily prepared ground state of the initial Hamiltonian. While effective for time-dependent Hamiltonians with an energy gap to the first coupled excited state, the process becomes exceedingly slow as the gap narrows. Rather than strictly following the adiabatic theorem, a more robust approach allows controlled diabatic excitations during the evolution and numerically optimizes the path to eliminate these excitations by the end. In this work, this is achieved via modulated time evolution, using a time dependent oscillating field lambda(t) to modulate the Hamiltonian, in conjunction with a transverse field B(t) whose optimized shape closely resembles a local adiabatic ramp. Beyond modulated time evolution, the quantum approximate optimization algorithm (QAOA), which also employs a transverse field defined as beta(t) over gamma(t), exhibits a shape similar to the local adiabatic ramp. This resemblance offers a more intuitive and physically motivated way to understand the QAOA algorithm through the lens of time evolution.

quant-ph↗

arXiv2024

Robust measurements of $n$-point correlation functions of driven-dissipative quantum systems on a digital quantum computer

We propose and demonstrate a unified hierarchical method to measure $n$-point correlation functions that can be applied to driven, dissipative, or otherwise open or non-equilibrium quantum systems. In this method, the time evolution of the system is repeatedly interrupted by interacting an ancilla qubit with the system through a controlled operation, and measuring the ancilla immediately afterwards. We discuss the robustness of this method as compared to other ancilla-based interferometric techniques (such as the Hadamard test), and highlight its advantages for near-term quantum simulations of open quantum systems. We implement the method on a quantum computer in order to measure single-particle Green's functions of a driven-dissipative fermionic system. This work shows that dynamical correlation functions for driven-dissipative systems can be robustly measured with near-term quantum computers.

quant-ph↗

arXiv2023

Focus on conceptual ideas in quantum mechanics for teacher training

In this work, we describe strategies and provide case-study activities that can be used to examine the properties of superposition, entanglement, tagging, complementarity, and measurement in quantum curricula geared for teacher training. Having a solid foundation in these conceptual ideas is critical for educators who will be adopting quantum ideas within the classroom. Yet they are some of the most difficult concepts to master. We show how one can systematically develop these conceptual foundations with thought experiments on light and with thought experiments that employ the Stern-Gerlach experiment. We emphasize the importance of computer animations in aiding the instruction on these concepts.

physics.ed-ph↗

arXiv2023

Free expansion of a Gaussian wavepacket using operator manipulations

The free expansion of a Gaussian wavepacket is a problem commonly discussed in undergraduate quantum classes by directly solving the time-dependent Schrodinger equation as a differential equation. In this work, we provide an alternative way to calculate the free expansion by recognizing that the Gaussian wavepacket can be thought of as the ground state of a harmonic oscillator with its frequency adjusted to give the initial width of the Gaussian, and the time evolution, given by the free-particle Hamiltonian, being the same as the application of a time-dependent squeezing operator to the harmonic oscillator ground state. Operator manipulations alone (including the Hadamard lemma and the exponential disentangling identity) then allow us to directly solve the problem. As quantum instruction evolves to include more quantum information science applications, reworking this well known problem using a squeezing formalism will help students develop intuition for how squeezed states are used in quantum sensing.

quant-ph↗

arXiv2023

Robust measurement of wave function topology on NISQ quantum computers

Topological quantum phases of quantum materials are defined through their topological invariants. These topological invariants are quantities that characterize the global geometrical properties of the quantum wave functions and thus are immune to local noise. Here, we present a strategy to measure topological invariants on quantum computers. We show that our strategy can be easily integrated with the variational quantum eigensolver (VQE) so that the topological properties of generic quantum many-body states can be characterized on current quantum hardware. We demonstrate the robust nature of the method by measuring topological invariants for both non-interacting and interacting models, and map out interacting quantum phase diagrams on quantum simulators and IBM quantum hardware.

quant-ph↗

arXiv2023

How to measure the momentum of single quanta

The von Neumann theory of measurement, based on an entanglement of the quantum observable with a classical machine followed by decoherence or collapse, does not readily apply to most measurements of momentum. Indeed, how we measure the momentum of a quantum particle is not even discussed in most quantum mechanics textbooks. Instead, we often teach the lore that position and momentum cannot be measured at the same time. Yet, most ways to measure momentum actually involve measuring position to infer momentum. In this tutorial review, I examine real experiments that measure momentum and describe how one can improve our teaching of the theory of measurement when we focus on real experiments, rather than abstract mathematical models of measurement.

quant-ph↗

arXiv2023

A linear response framework for simulating bosonic and fermionic correlation functions illustrated on quantum computers

Response functions are a fundamental aspect of physics; they represent the link between experimental observations and the underlying quantum many-body state. However, this link is often under-appreciated, as the Lehmann formalism for obtaining response functions in linear response has no direct link to experiment. Within the context of quantum computing, and by using a linear response framework, we restore this link by making the experiment an inextricable part of the quantum simulation. This method can be frequency- and momentum-selective, avoids limitations on operators that can be directly measured, and is ancilla-free. As prototypical examples of response functions, we demonstrate that both bosonic and fermionic Green's functions can be obtained, and apply these ideas to the study of a charge-density-wave material on ibm_auckland. The linear response method provides a robust framework for using quantum computers to study systems in physics and chemistry. It also provides new paradigms for computing response functions on classical computers.

quant-ph↗

arXiv2022

A physicist's guide to the solution of Kummer's equation and confluent hypergeometric functions

The confluent hypergeometric equation, also known as Kummer's equation, is one of the most important differential equations in physics, chemistry, and engineering. Its two power series solutions are the Kummer function, M(a,b,z), often referred to as the confluent hypergeometric function of the first kind, and z^{1-b}M(1+a-b,2-b,z), where a and b are parameters that appear in the differential equation. A third function, the Tricomi function, U(a,b,z), sometimes referred to as the confluent hypergeometric function of the second kind, is also a solution of the confluent hypergeometric equation that is routinely used. All three of these functions must be considered in a search for two linearly independent solutions of the confluent hypergeometric equation. There are situations, when a, b, and a - b are integers, where one of these functions is not defined, or two of the functions are not linearly independent, or one of the linearly independent solutions of the differential equation is different from these three functions. Many of these special cases correspond precisely to cases needed to solve physics problems. This leads to significant confusion about how to work with confluent hypergeometric equations, in spite of authoritative references such as the NIST Digital Library of Mathematical Functions. Here, we carefully describe all of the different cases one has to consider and what the explicit formulas are for the two linearly independent solutions of the confluent hypergeometric equation. Our results are summarized in Table I in Section 3. As an example, we use these solutions to study the bound states of the hydrogenic atom, going beyond the standard treatment in textbooks. We also briefly consider the cutoff Coulomb potential. We hope that this guide will aid physics instruction that involves the confluent hypergeometric differential equation.

quant-ph↗

arXiv2022

Fixed Depth Hamiltonian Simulation via Cartan Decomposition

Simulating quantum dynamics on classical computers is challenging for large systems due to the significant memory requirements. Simulation on quantum computers is a promising alternative, but fully optimizing quantum circuits to minimize limited quantum resources remains an open problem. We tackle this problem presenting a constructive algorithm, based on Cartan decomposition of the Lie algebra generated by the Hamiltonian, that generates quantum circuits with time-independent depth. We highlight our algorithm for special classes of models, including Anderson localization in one dimensional transverse field XY model, where a O(n^2)-gate circuits naturally emerge. Compared to product formulas with significantly larger gate counts, our algorithm drastically improves simulation precision. In addition to providing exact circuits for a broad set of spin and fermionic models, our algorithm provides broad analytic and numerical insight into optimal Hamiltonian simulations.

quant-ph↗

arXiv2021

Determining ground-state phase diagrams on quantum computers via a generalized application of adiabatic state preparation

Quantum phase transitions materialize as level crossings in the ground-state energy when the parameters of the Hamiltonian are varied. The resulting ground-state phase diagrams are straightforward to determine by exact diagonalization on classical computers, but are challenging on quantum computers because of the accuracy needed and the near degeneracy of competing states close to the level crossings. In this work, we use a local adiabatic ramp for state preparation to allow us to directly compute ground-state phase diagrams on a quantum computer via time evolution. This methodology is illustrated by examining the ground states of the XY model with a magnetic field in the z-direction in one dimension. We are able to calculate an accurate phase diagram on both two and three site systems using IBM quantum machines.

quant-ph↗

arXiv2021

Decomposition of high-rank factorized unitary coupled-cluster operators using ancilla and multi-qubit controlled low-rank counterparts

The factorized form of the unitary coupled-cluster approximation is one of the most promising methodologies to prepare trial states for strongly correlated systems within the variational quantum eigensolver framework. The factorized form of the UCC ansatz can be systematically applied to a reference state to generate the desired entanglement. The difficulty associated with such an approach is the requirement of simultaneously entangling a growing number of qubits, which quickly exceeds the hardware limitations of today's quantum machines. In particular, while circuits for singles and double excitations can be performed on current hardware, higher-rank excitations require too many gate operations. In this work, we propose a set of new schemes that trade off using extra qubits for a reduced gate depth to decompose high-rank UCC excitation operators into significantly lower depth circuits. These results will remain useful even when fault-tolerant machines are available to reduce the overall state-preparation circuit depth.

quant-ph↗

arXiv2021

What do the two times in two-time correlation functions mean for interpreting tr-ARPES?

Time-resolved angle-resolved photoemission spectroscopy is one of the most powerful pump-probe measurements of materials driven far from equilibrium. Unlike the linear-response regime, where the frequency-dependent response function is independent of time, in a far-from-equilibrium experiment, the response function depends on two times in the time domain. In this work, we describe how one can use time-dependent frequency response functions and how they involve contributions from times that are near to each other. This implies that they should not be thought of as a frequency-dependent response at a single definite time. Instead, the Fourier uncertainty relations show that they involve contributions from ranges of times and must be interpreted in this light. We use this insight to help understand what time-resolved photoemission measurements actually measure.

cond-mat.str-el↗