The efficient probing of spectral features is important for characterising and understanding the structure and dynamics of quantum materials. In this work, we establish a framework for probing the excitation spectrum of quantum many-body systems with quantum simulators. Our approach effectively realises a spectral detector by processing the dynamics of observables with time intervals drawn from a defined probability distribution, which only requires native time evolution governed by the Hamiltonian without ancilla. The critical element of our method is the engineered emergence of frequency resonance such that the excitation spectrum can be probed. We show that the time complexity for transition energy estimation has a logarithmic dependence on simulation accuracy and how such observation can be guaranteed in certain many-body systems. We discuss the noise robustness of our spectroscopic method and show that the total running time maintains polynomial dependence on accuracy in the presence of device noise. We further numerically test the error dependence and the scalability of our method for lattice models. We present simulation results for the spectral features of typical quantum systems, either gapped or gapless, including quantum spins, fermions and bosons. We demonstrate how excitation spectra of spin-lattice models can be probed experimentally with IBM quantum devices.
The efficient probing of spectral features is important for characterising and understanding the structure and dynamics of quantum materials. In this work, we establish a framework for probing the excitation spectrum of quantum many-body systems with quantum simulators. Our approach effectively realises a spectral detector by processing the dynamics of observables with time intervals drawn from a defined probability distribution, which only requires native time evolution governed by the Hamiltonian without ancilla. The critical element of our method is the engineered emergence of frequency resonance such that the excitation spectrum can be probed. We show that the time complexity for transition energy estimation has a logarithmic dependence on simulation accuracy and how such observation can be guaranteed in certain many-body systems. We discuss the noise robustness of our spectroscopic method and show that the total running time maintains polynomial dependence on accuracy in the presence of device noise. We further numerically test the error dependence and the scalability of our method for lattice models. We present simulation results for the spectral features of typical quantum systems, either gapped or gapless, including quantum spins, fermions and bosons. We demonstrate how excitation spectra of spin-lattice models can be probed experimentally with IBM quantum devices.
Simulating quantum many-body systems is essential for understanding complex phenomena in condensed matter, chemistry, and materials science. Quantum computing offers a way to overcome the limitations of classical methods by operating directly in exponentially large Hilbert spaces. In particular, classical methods often fail to capture the dynamics of strongly correlated systems, which makes quantum algorithms a promising alternative for exploring these challenging regimes. This thesis uses quantum dynamics simulations to probe the behaviour of many-body systems. We first introduce a spectroscopy-based protocol to extract excitation spectra from the time evolution of observables and analyse its performance on near-term quantum devices. We show that the protocol requires only short evolution times and is resilient to errors, facilitating its implementation on real hardware. Building on this, we simulate fermionic excitation spectra using current quantum devices, introducing resource optimisations - including an approximate free-fermion initial state, a unitary quench without ancillae, and reduced Trotter steps - that significantly lower circuit depth. These improvements enable simulations at system sizes competitive with the state of the art, yielding results that match classical benchmarks. While most studies focus on unitary dynamics of isolated systems, open quantum dynamics is increasingly relevant for describing non-equilibrium processes across biology, materials science, and quantum control. We extend our scope to systems coupled to an environment and governed by Lindbladian evolution. By studying simulation complexity through physically meaningful quantities - such as correlation length and mixing time - we explore whether open-system dynamics can be as tractable as their unitary counterparts. These findings provide insights into the computational complexity landscape of open-system simulation and highlight regimes where quantum methods offer a clear advantage.
We present shadow spectroscopy as a simulator-agnostic quantum algorithm for estimating energy gaps using very few circuit repetitions (shots) and no extra resources (ancilla qubits) beyond performing time evolution and measurements. The approach builds on the fundamental feature that every observable property of a quantum system must evolve according to the same harmonic components: we can reveal them by postprocessing classical shadows of time-evolved quantum states to extract a large number of time-periodic signals N o ∝ 10 8 , whose frequencies correspond to Hamiltonian energy differences with precision limited as ϵ ∝ 1 / T for simulation time T . We provide strong analytical guarantees that (a) quantum resources scale as O ( log N o ) , while the classical computational complexity is linear O ( N o ) , (b) the signal-to-noise ratio increases with the number of processed signals as ∝ N o , and (c) spectral peak positions are immune to reasonable levels of noise. We demonstrate our approach on model spin systems and the excited-state conical intersection of molecular CH 2 and verify that our method is indeed intuitively easy to use in practice, robust against gate noise, amiable to a new type of algorithmic-error mitigation technique, and uses relatively few shots given a reasonable initial state is supplied—we demonstrate that even 10 shots per time step can be sufficient. Finally, we measured a high-quality, experimental shadow spectrum of a spin chain on readily available IBM quantum computers, achieving the same precision as in noise-free simulations without using any advanced error mitigation, and verified scalability in tensor-network simulations of up to 100-qubit systems.
We develop a new implementation of the real-time full configuration interaction quantum Monte Carlo method, and apply it to the dynamics of the Heisenberg spin chain and the spectrum of the one-dimensional Fröhlich polaron. This is a general method for the numerical integration of the Schrödinger equation to evolve quantum systems in real time, introduced by Guther et al. as an extension of the imaginary-time version of the algorithm that finds ground-state properties. We introduce a new integrator for improved efficiency, and a scaling procedure for better control of simulations. We study the accuracy of the method, including the effect of discretising time and of the stochastic errors introduced by the Monte Carlo elements of the algorithm. Comparing the method to a hardware quantum simulator for the quench dynamics of a Heisenberg spin chain, we find that for this model the discretisation and stochastic errors grow quickly, limiting the effectiveness of the algorithm for finding accurate evolution over long times. We find that spectral information can be generated successfully using an energy-dependent damping, with either a tilted complex contour time evolution or a strong second-order damping. Specifically, we reproduce the low-energy spectrum of the Fr ̈ohlich polaron model and confirm the existence of a bound excited state.
Extracting energy spectra from quantum Hamiltonians is a fundamental task for quantum simulation, yet remains challenging on noisy intermediate-scale quantum (NISQ) devices. We propose Measured Quantum Time Evolution (MQTE), an ancilla-free algorithm that estimates energy gaps by applying real-time evolution to a reference state and measuring time-resolved probabilities via repeated projective measurements. Spectral analysis of these signals reveals oscillation frequencies corresponding to eigenvalue differences. Crucially, MQTE exhibits inherent robustness to quantum hardware noise and sampling errors: these disturbances manifest as a white-noise background, which does not distort the underlying spectral structure but rather obscures the frequency information. By increasing the number of measurement samples, the intensity of the background white noise can be suppressed, thereby recovering the original spectral content. We validate the algorithm's performance via numerical simulations on one- and two-dimensional Heisenberg models, demonstrating accurate extraction of energy gaps and resilience against both sampling and circuit-level noise. Experimental implementation on the superconducting quantum processor Tianyan-176-II further confirms the practical feasibility and noise tolerance of MQTE under real hardware conditions. This work provides a robust and scalable framework for quantum spectral estimation in the NISQ era.
Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here, we introduce a simulation framework for strongly correlated quantum systems that can be represented by model spin Hamiltonians. Our approach leverages reconfigurable qubit architectures to programmably simulate real-time dynamics and introduces an algorithm for extracting chemically relevant spectral properties via classical co-processing of quantum measurement results. We develop a digital-analog simulation toolbox for efficient Hamiltonian time evolution utilizing digital Floquet engineering and hardware-optimized multi-qubit operations to accurately realize complex spin-spin interactions, and as an example present an implementation proposal based on Rydberg atom arrays. Then, we show how detailed spectral information can be extracted from these dynamics through snapshot measurements and single-ancilla control, enabling the evaluation of excitation energies and finite-temperature susceptibilities from a single-dataset. To illustrate the approach, we show how this method can be used to compute key properties of a polynuclear transition-metal catalyst and 2D magnetic materials.
Quenches are now routinely used in synthetic quantum systems to study a variety of fundamental effects, including ergodicity breaking, light-cone-like spreading of information, and dynamical phase transitions. It was shown recently that the dynamics of equal-time correlators may be related to ground-state phase transitions and some properties of the system excitations. Here, we show that the full low-lying excitation spectrum of a generic many-body quantum system can be extracted from the after-quench dynamics of equal-time correlators. We demonstrate it for a variety of one-dimensional lattice models amenable to exact numerical calculations, including Bose and spin models, with short- or long-range interactions. The approach also applies to higher dimensions, correlated fermions, and continuous models. We argue that it provides an alternative approach to standard pump-probe spectroscopic methods and discuss its advantages.