arXiv subjects

Alexander F. Kemper

Publications and source records attributed to Alexander F. Kemper.

At least 37 records · Page 2Linked to original sources

arXiv2024

Denoising and Extension of Response Functions in the Time Domain

Response functions of quantum systems, such as electron Green's functions, magnetic, or charge susceptibilities, describe the response of a system to an external perturbation. They are the central objects of interest in field theories and quantum computing and measured directly in experiment. Response functions are intrinsically causal. In equilibrium and steady-state systems, they correspond to a positive spectral function in the frequency domain. Since response functions define an inner product on a Hilbert space and thereby induce a positive definite function, the properties of this function can be used to reduce noise in measured data and, in equilibrium and steady state, to construct positive definite extensions for data known on finite time intervals, which are then guaranteed to correspond to positive spectra.

quant-ph↗

arXiv2023

Detection of a two-phonon mode in a cuprate superconductor via polarimetric RIXS

Recent improvements in the energy resolution of resonant inelastic x-ray scattering experiments (RIXS) at the Cu-L$_3$ edge have enabled the study of lattice, spin, and charge excitations. Here, we report on the detection of a low intensity signal at 140meV, twice the energy of the bond-stretching (BS) phonon mode, in the cuprate superconductor $\textrm{Bi}_2\textrm{Sr}_2\textrm{Ca}\textrm{Cu}_2\textrm{O}_{8+x}$ (Bi-2212). Ultra-high resolution polarimetric RIXS measurements allow us to resolve the outgoing polarization of the signal and identify this feature as a two-phonon excitation. Further, we study the connection between the two-phonon mode and the BS one-phonon mode by constructing a joint density of states toy model that reproduces the key features of the data.

cond-mat.str-el↗

arXiv2023

Quantum Eigenvector Continuation for Chemistry Applications

A typical task for classical and quantum computing in chemistry is finding a potential energy surface (PES) along a reaction coordinate, which involves solving the quantum chemistry problem for many points along the reaction path. Developing algorithms to accomplish this task on quantum computers has been an active area of development, yet finding all the relevant eigenstates along the reaction coordinate remains a difficult problem, and determining PESs is thus a costly proposal. In this paper, we demonstrate the use of a eigenvector continuation -- a subspace expansion that uses a few eigenstates as a basis -- as a tool for rapidly exploring potential energy surfaces. We apply this to determining the binding PES or torsion PES for several molecules of varying complexity. In all cases, we show that the PES can be captured using relatively few basis states; suggesting that a significant amount of (quantum) computational effort can be saved by making use of already calculated ground states in this manner.

physics.chem-ph↗

arXiv2023

Classification of dynamical Lie algebras for translation-invariant 2-local spin systems in one dimension

Much is understood about 1-dimensional spin chains in terms of entanglement properties, physical phases, and integrability. However, the Lie algebraic properties of the Hamiltonians describing these systems remain largely unexplored. In this work, we provide a classification of all Lie algebras generated by translation-invariant 2-local spin chain Hamiltonians, or so-called dynamical Lie algebras. We consider chains with open and periodic boundary conditions and find 17 unique dynamical Lie algebras. Our classification covers some well-known models such as the transverse-field Ising model and the Heisenberg chain, and we also find more exotic classes of Hamiltonians that cannot be identified easily. In addition to the closed and open spin chains, we consider systems with a fully connected topology, which may be relevant for quantum machine learning approaches. We discuss the practical implications of our work in the context of quantum control, variational quantum computing, and the spin chain literature.

quant-ph↗

arXiv2023

Mapping the metal-insulator phase diagram by algebraically fast-forwarding dynamics on a cloud quantum computer

Dynamical mean-field theory (DMFT) maps the local Green's function of the Hubbard model to that of the Anderson impurity model and thus gives an approximate solution of the Hubbard model from the solution of simpler quantum impurity model. Quantum and hybrid quantum-classical algorithms have been proposed to efficiently solve impurity models by preparing and evolving the ground state under the impurity Hamiltonian on a quantum computer that is assumed to have the scalability and accuracy far beyond the current state-of-the-art quantum hardware. As a proof of principle demonstration targeting the Anderson impurity model we close the DMFT loop with current noisy hardware. With a highly optimized fast-forwarding quantum circuit and a noise resilient spectral analysis we observe a Mott phase transition. Based on a Cartan decomposition, our algorithm gives a fixed depth, fast-forwarding, quantum circuit that can evolve the initial state over arbitrarily long times without time-discretization errors typical of other product decomposition formulas such as Trotter decomposition. By exploiting the structure of the fast-forwarding circuits we reduce the gate count (to 77 CNOTs after optimization), simulate the dynamics, and extract frequencies from the Anderson impurity model on noisy quantum hardware. We then demonstrate the Mott transition by mapping the full metal-insulator phase-diagram. Near the Mott phase transition, our method maintains accuracy where Trotter error would otherwise dominate due to the long-time evolution required to resolve quasiparticle resonance frequency extremely close to zero. This work presents the first computation of the Mott phase transition using noisy digital quantum hardware, made viable by a highly optimized computation in terms of gate depth, simulation error, and runtime on quantum hardware.

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

An entanglement-based volumetric benchmark for near-term quantum hardware

We introduce a volumetric benchmark for near-term quantum platforms based on the generation and verification of genuine entanglement across n-qubits using graph states and direct stabilizer measurements. Our benchmark evaluates the robustness of multipartite and bipartite n-qubit entanglement with respect to many sources of hardware noise: qubit decoherence, CNOT and swap gate noise, and readout error. We demonstrate our benchmark on multiple superconducting qubit platforms available from IBM (ibmq_belem, ibmq_toronto, ibmq_guadalupe and ibmq_jakarta). Subsets of $n<10$ qubits are used for graph state preparation and stabilizer measurement. Evaluation of genuine and biseparable entanglement witnesses we report observations of $5$ qubit genuine entanglement, but robust multipartite entanglement is difficult to generate for $n>4$ qubits and identify two-qubit gate noise as strongly correlated with the quality of genuine multipartite entanglement.

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↗

arXiv2022

Measuring NISQ Gate-Based Qubit Stability Using a 1+1 Field Theory and Cycle Benchmarking

Some of the most problematic issues that limit the implementation of applications on Noisy Intermediate Scale Quantum (NISQ) machines are the adverse impacts of both incoherent and coherent errors. We conducted an in-depth study of coherent errors on a quantum hardware platform using a transverse field Ising model Hamiltonian as a sample user application. We report here on the results from these computations using several error mitigation protocols that profile these errors and provide an indication of the hardware qubit stability. Through a detailed set of measurements we identify inter-day and intra-day qubit calibration drift and the impacts of quantum circuit placement on groups of qubits in different physical locations on the processor. This paper also discusses how these measurements can provide a better understanding of these types of errors and how they may improve efforts to validate the accuracy of quantum computations.

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

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↗

arXiv2021

Algebraic Compression of Quantum Circuits for Hamiltonian Evolution

Unitary evolution under a time dependent Hamiltonian is a key component of simulation on quantum hardware. Synthesizing the corresponding quantum circuit is typically done by breaking the evolution into small time steps, also known as Trotterization, which leads to circuits whose depth scales with the number of steps. When the circuit elements are limited to a subset of SU(4) -- or equivalently, when the Hamiltonian may be mapped onto free fermionic models -- several identities exist that combine and simplify the circuit. Based on this, we present an algorithm that compresses the Trotter steps into a single block of quantum gates. This results in a fixed depth time evolution for certain classes of Hamiltonians. We explicitly show how this algorithm works for several spin models, and demonstrate its use for adiabatic state preparation of the transverse field Ising model.

quant-ph↗

arXiv2021

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. 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 $\mathcal{O}(10^3)$ spins. The resulting quantum circuits have a simple nearest-neighbor topology, which makes them ideally suited for NISQ devices.

math.NA↗

arXiv2021

Quantum Markov Chain Monte Carlo with Digital Dissipative Dynamics on Quantum Computers

Modeling the dynamics of a quantum system connected to the environment is critical for advancing our understanding of complex quantum processes, as most quantum processes in nature are affected by an environment. Modeling a macroscopic environment on a quantum simulator may be achieved by coupling independent ancilla qubits that facilitate energy exchange in an appropriate manner with the system and mimic an environment. This approach requires a large, and possibly exponential number of ancillary degrees of freedom which is impractical. In contrast, we develop a digital quantum algorithm that simulates interaction with an environment using a small number of ancilla qubits. By combining periodic modulation of the ancilla energies, or spectral combing, with periodic reset operations, we are able to mimic interaction with a large environment and generate thermal states of interacting many-body systems. We evaluate the algorithm by simulating preparation of thermal states of the transverse Ising model. Our algorithm can also be viewed as a quantum Markov chain Monte Carlo (QMCMC) process that allows sampling of the Gibbs distribution of a multivariate model. To demonstrate this we evaluate the accuracy of sampling Gibbs distributions of simple probabilistic graphical models using the algorithm.

quant-ph↗

arXiv2021

Simulating Quantum Materials with Digital Quantum Computers

Quantum materials exhibit a wide array of exotic phenomena and practically useful properties. A better understanding of these materials can provide deeper insights into fundamental physics in the quantum realm as well as advance technology for entertainment, healthcare, and sustainability. The emergence of digital quantum computers (DQCs), which can efficiently perform quantum simulations that are otherwise intractable on classical computers, provides a promising path forward for testing and analyzing the remarkable, and often counter-intuitive, behavior of quantum materials. Equipped with these new tools, scientists from diverse domains are racing towards achieving physical quantum advantage (i.e., using a quantum computer to learn new physics with a computation that cannot feasibly be run on any classical computer). The aim of this review, therefore, is to provide a summary of progress made towards this goal that is accessible to scientists across the physical sciences. We will first review the available technology and algorithms, and detail the myriad ways to represent materials on quantum computers. Next, we will showcase the simulations that have been successfully performed on currently available DQCs, emphasizing the variety of properties, both static and dynamic, that can be studied with this nascent technology. Finally, we work through two examples of how to map a materials problem onto a DQC, with full code included in the Supplementary Material. It is our hope that this review can serve as an organized overview of progress in the field for domain experts and an accessible introduction to scientists in related fields interested in beginning to perform their own simulations of quantum materials on DQCs.

quant-ph↗

arXiv2020

Establishing non-thermal regimes in pump-probe electron-relaxation dynamics

Time- and angle-resolved photoemission spectroscopy (TR-ARPES) accesses the electronic structure of solids under optical excitation, and is a powerful technique for studying the coupling between electrons and collective modes. One approach to infer electron-boson coupling is through the relaxation dynamics of optically-excited electrons, and the characteristic timescales of energy redistribution. A common description of electron relaxation dynamics is through the effective electronic temperature. Such a description requires that thermodynamic quantities are well-defined, an assumption that is generally violated at early delays. Additionally, precise estimation of the non-thermal window -- within which effective temperature models may not be applied -- is challenging. We perform TR-ARPES on graphite and show that Boltzmann rate equations can be used to calculate the time-dependent electronic occupation function, and reproduce experimental features given by non-thermal electron occupation. Using this model, we define a quantitative measure of non-thermal electron occupation and use it to define distinct phases of electron relaxation in the fluence-delay phase space. More generally, this approach can be used to inform the non-thermal-to-thermal crossover in pump-probe experiments.

cond-mat.mtrl-sci↗

arXiv2020

Observing coherences with time-resolved photoemission

We discuss the potential creation and measurement of coherences in both dispersive solids and qubit-like single levels using current generation time- and angle-resolved photoemission technology. We show that in both cases, when both the pump and the probe overlap energetically with the coherent levels, and when the probe preferentially measures one level as compared to the other, that the time-resolved photoemission signal shows a beating pattern at the energy difference between the levels. In the case of dispersive bands, this leads to momentum-dependent oscillations, which may be used to map out small energy scales in the band structure. We further develop the two-sided Feynman diagrams for time-resolved photoemission, and discuss the measurement of decoherence to gain insight into the characteristics of qubit and dispersive bands.

cond-mat.mes-hall↗

arXiv2019

Nonequilibrium dynamics of spontaneous symmetry breaking into a hidden state of charge-density wave

Nonequilibrium phase transition plays a pivotal role in a broad physical context from condensed matter to cosmology. Tracking the formation of non-equilibrium phases in condensed matter is challenging and requires a resolution of the long-range cooperativity on ultra-short timescales. Here, we study the spontaneous symmetry breaking transformation of a charge-density wave system from a stripe phase into a checkerboard state. Such a state is thermodynamically forbidden, but is introduced through a system quench using ultrashort, intense laser pulses. The dynamics is mediated by the soft modes that unfold spontaneously and order the field on a timescale ~1 ps. Using the coherent electron diffraction with ~100 fs resolution, we capture the entire course and demonstrate nonergodic behavior proximal to symmetry breaking that is crucial for stabilizing the hidden states. Remarkably, the thermalization due to carriers cooling arrests the remnants of the transient orders into the topological defects in the eventual state with distinct new properties that last for more than 1 ns. The fundamental dynamics observed here opens an intriguing perspective of controlling phase transitions in quantum materials far from equilibrium.

cond-mat.mes-hall↗