We introduce a hybrid classical-quantum algorithm for simulating a Hamiltonian of the form $H= \sum_{i=1}^K H_i = \sum_{i=1}^K H_{i_1} \otimes H_{i_2} \otimes \cdots \otimes H_{i_M}$. Given that the entries of all $\{ H_{i_1}, H_{i_2} , \cdots , H_{i_M}\}$ (for all $i$) are classically known, we present a procedure (with three variants) in which these operators are classically diagonalized, and then this information is fed into three possible quantum procedures to obtain the block-encoding of $H$. The evolution operator $\exp(-iHt)$ is then obtained using the standard block-encoding/quantum singular value transformation framework. In the case where $\{H_i\}_{i=1}^K$ commute pairwise, our method can be trivially extended to the case with time-dependent coefficients. We provide a detailed discussion of the efficient regime of our hybrid framework and compare it with existing quantum simulation algorithms. Our algorithm can serve as a useful complement to existing quantum simulation algorithms, thereby expanding the reach of quantum computers for practically simulating physical systems. As a side contribution, we will show how the recent technique called \textit{randomized truncation to a quantum state} developed by Harrow, Lowe, and Witteveen [arXiv preprint arXiv:2510.08518, 2025] can be applied to the context of quantum simulation and particularly quantum state preparation, for which the latter can be of independent interest.
We introduce a hybrid classical-quantum algorithm for simulating a Hamiltonian of the form H=∑i=1KHi=∑i=1KHi1⊗Hi2⊗⋯⊗HiM. Given that the entries of all {Hi1,Hi2,⋯,HiM} (for all i) are classically known, we present a procedure (with three variants) in which these operators are classically diagonalized, and then this information is fed into three possible quantum procedures to obtain the block-encoding of H. The evolution operator exp(−iHt) is then obtained using the standard block-encoding/quantum singular value transformation framework. In the case where {Hi}i=1K commute pairwise, our method can be trivially extended to the case with time-dependent coefficients. We provide a detailed discussion of the efficient regime of our hybrid framework and compare it with existing quantum simulation algorithms. Our algorithm can serve as a useful complement to existing quantum simulation algorithms, thereby expanding the reach of quantum computers for practically simulating physical systems. As a side contribution, we will show how the recent technique called \textit{randomized truncation to a quantum state} developed by Harrow, Lowe, and Witteveen [arXiv preprint arXiv:2510.08518, 2025] can be applied to the context of quantum simulation and particularly quantum state preparation, for which the latter can be of independent interest.
The efficient implementation of matrix arithmetic operations underpins the speedups of many quantum algorithms. We develop a suite of methods to perform matrix arithmetics—with the result encoded in the off-diagonal blocks of a Hamiltonian—using Hamiltonian evolutions of input operators. We show how to maintain this Hamiltonian block encoding , so that matrix operations can be composed one after another, and the entire quantum computation takes ≤ 2 ancilla qubits. We achieve this for matrix multiplication, matrix addition, matrix inversion, Hermitian conjugation, fractional scaling, integer scaling, complex phase scaling, as well as singular value transformation for both odd and even polynomials. We also present an overlap estimation algorithm to extract classical properties of Hamiltonian block encoded operators, analogous to the well known Hadamard test, at no extra cost of qubit. Our Hamiltonian matrix multiplication uses the Lie group commutator product formula and its higher-order generalizations due to Childs and Wiebe. Our Hamiltonian singular value transformation employs a dominated polynomial approximation, where the approximation holds within the domain of interest, while the constructed polynomial is upper bounded by the target function over the entire unit interval. We describe a circuit for simulating a class of sum-of-squares Hamiltonians, attaining a commutator scaling in step count, while leveraging the power of matrix arithmetics to reduce the cost of each simulation step. In particular, we apply this to the doubly factorized tensor hypercontracted Hamiltonians from recent studies of quantum chemistry, obtaining further improvements for initial states with a fixed number of particles. We achieve this with 1 ancilla qubit.
Simulating quantum dynamics is one of the most important applications of quantum computers. Traditional approaches for quantum simulation involve preparing the full evolved state of the system and then measuring some physical quantity. Here, we present a different and novel approach to quantum simulation that uses a compressed quantum state that we call the “shadow state”. The amplitudes of this shadow state are proportional to the time-dependent expectations of a specific set of operators of interest, and it evolves according to its own Schrödinger equation. This evolution can be simulated on a quantum computer efficiently under broad conditions. Applications of this approach to quantum simulation problems include simulating the dynamics of exponentially large systems of free fermions or free bosons, the latter example recovering a recent algorithm for simulating exponentially many classical harmonic oscillators. These simulations are hard for classical methods and also for traditional quantum approaches, as preparing the full states would require exponential resources. Shadow Hamiltonian simulation can also be extended to simulate expectations of more complex operators such as two-time correlators or Green’s functions, and to study the evolution of operators themselves in the Heisenberg picture. When performing quantum simulation, oftentimes the properties of interest are only a subset of the information contained in the entire state. Here, the authors devise a different type of quantum simulation, where they work with a compressed quantum state whose amplitudes are proportional to expected values of some specific observables of interest.
Computational methods are central to modern physics, yet many problems, especially those involving Quantum Many-Body Systems (QMBSs), remain challenging at scale. The core difficulty of simulating QMBSs is the exponential growth of the solution space with system size. This renders exact treatments intractable and pushes approximate methods to their limits when tackling two- and higher-dimensional systems and long-time dynamics. Quantum computers offer a quantum-native platform for representing and manipulating such systems. Recent algorithmic and technological advancements have enabled experiments on quantum processors in the quantum utility regime, a scale at which exact classical reproduction is no longer feasible. This represents the first step towards realizing quantum advantage, where quantum computers solve specific, practically relevant problems more efficiently than any classical approach. While advancing towards the goal of quantum advantage, useful computations on quantum processors are expected to be realised through hybrid quantum-classical algorithms, which combine quantum experiments and classical computational resources. A prominent example are variational quantum algorithms, where a Parametrized Quantum Circuit (PQC) prepares a trial quantum state whose parameters are iteratively updated by a classical optimisation routine to minimize a target cost function (e.g., the energy of a target Hamiltonian). However, the optimisation of such PQCs is affected by trainability issues, such as barren plateaus in the parameter landscape, which can render the optimisation increasingly difficult for larger system sizes. This motivates the development of novel hybrid approaches overcoming the limits of PQCs. In this thesis, we introduce a new class of approaches based on hybrid Tensor Networks (TNs). A hybrid TN is obtained by integrating quantum states prepared on a quantum processor within TNs -- one of the state-of-the-art approaches for simulating quantum systems. We first show how hybrid TNs can be used for ground-state searches within a variational setting. Then, we further extend the framework to non-variational hybrid TN ansätze for which the quantum tensors are prepared via quantum annealing and subsequently post-processed by classical TNs. In the context of quantum machine learning, which also relies on PQCs, we further investigate heuristic best practices that mitigate the same exponential concentration effects in kernel-based models for anomaly detection. Another class of hybrid algorithms are quantum error-mitigation workflows, where classical post-processing is used to reconstruct expectation values from noise-affected circuit executions. Such methods generally feature a trade-off between the bias and the variance: the price to pay for mitigating noise in a bias-free fashion is that the number of measurements usually grows exponentially with the depth of the circuit in order to achieve a fixed accuracy. In this thesis, we develop a low-resource error-mitigation strategy that reduces the measurement overhead in practical digital Hamiltonian-simulation workflows. We apply this method to Trotterized dynamics in a lattice-gauge-theory model, enabling the extraction of expectation values with improved accuracy at time-scales that allow the observation of post-collision scattering dynamics.
We propose a new method for simulating certain type of time-dependent Hamiltonian H(t)=∑i=1mγi(t)Hi where γi(t) (and its higher order derivatives) is bounded, computable function of time t, and each Hi is time-independent, and could be efficiently simulated. Our quantum algorithms are based on high-order Runge-Kutta method and forward Euler method, where the time interval is divided into subintervals. Then in an iterative manner, the evolution operator at given time step is built upon the evolution operator at previous time step, utilizing algorithmic operations from the recently introduced quantum singular value transformation framework.
Quantum simulation involves using a quantum system to study another quantum system. The proposal to simulate quantum physics using quantum mechanical devices, as outlined by Richard Feynman in 1982, stems from classical computers' challenges in simulating quantum systems. The pursuit of simulating complex quantum systems has led to the intersection of quantum mechanics and quantum computing. This offers new opportunities to understand and manipulate the quantum world. Central to describing quantum dynamics is the Hamiltonian operator H^, which governs the time evolution of physical systems and serves as the mathematical foundation for quantum simulations. This thesis explores the methodologies and advancements in simulating Hamiltonian operators on quantum computers, focusing on decomposing these operators into quantum gates and the efficiency gains over classical computational approaches. Initially, the thesis explains the fundamental theory and basics of quantum computing. Further it dives into the foundations of the Hamiltonian operator within quantum mechanics, highlighting its role in describing the dynamics of quantum systems. The complexity and high-dimensional nature of Hamiltonian matrices necessitate using quantum computers to simulate quantum phenomena accurately and efficiently. The process of simulating the Hamiltonian operator on a quantum computer involves a detailed examination of the strategies for decomposing the operator into a sequence of quantum gates. This decomposition is crucial for translating the abstract mathematical description of quantum systems into the physical operations of a quantum computer. By utilizing the principles of quantum mechanics, such as superposition and entanglement, quantum gates manipulate qubits to mimic the evolution of quantum states as the Hamiltonian operator dictates. Latter portions of the thesis are dedicated to comparing the efficiency of quantum simulations against traditional classical simulations and inspecting efficient quantum simulations. Quantum computers offer a polynomial or an exponential speedup for certain classes of problems, such as those involving highly entangled quantum states or requiring the simulation of complex quantum dynamics. This advantage is due to the quantum computer's ability to naturally represent and process quantum information - a task for which classical computers require exponential resources as the system size increases. The efficiency of simulating the Hamiltonian operator on a quantum computer is further enhanced through optimization techniques and algorithmic improvements. These include error mitigation strategies and the development of quantum algorithms tailored to specific types of Hamiltonian operators. The thesis presents a comprehensive analysis of these methods, demonstrating how they make quantum simulations more practical and accessible for scientific research and technological development. In conclusion this thesis is a literature review that examines the transformative potential of quantum simulations. By efficiently simulating the Hamiltonian operator on quantum computers researchers can explore quantum phenomena with precision, paving the way for breakthroughs in quantum physics, materials science, and beyond. The advancements in quantum computing technology and algorithmic approaches discussed here highlight the current capabilities and future explorations in the quantum realm.
Along with the development of quantum technology, finding useful applications of quantum computers has been a central pursuit. Despite various quantum algorithms have been developed, many of them often require strong input assumptions, which is hardware demanding. In particular, recent advances on dequantization have revealed that the quantum advantage is more of a mere artifact of strong input assumptions. In this work, we propose a variant of these algorithms, leveraging both classical and quantum resources. Provided the classical knowledge (the entries) of the matrix/vector of interest, a classical procedure is used to pre-process this information. Then they are fed into a quantum circuit which is shown to be a block encoding of the matrix of interest. From this block-encoding, we show how to use it to tackle a wide range of problems, including principal component analysis, linear equation solving, Hamiltonian simulation, preparing ground state, and data fitting. We also analyze our protocol, showing that both the classical and quantum procedure can achieve logarithmic complexity in the input dimension, thus implying its potential for near term realization. We then discuss several implications and corollaries of our result. First,, our results suggest there are certain matrices/Hamiltonians where our method can provide exponential improvement compared to the existing ones with respect to the sparsity. Regarding dense linear systems, our method achieves exponential speed-up with respect to the inverse of error tolerance, compared to the best previously known quantum algorithm for dense systems. Last, and most importantly, regarding quantum data fitting, we show how the output of our quantum algorithms can be leveraged to predict unseen data. Thus, it provides an end-to-end application, which has been an open aspect of the previous quantum data fitting algorithm.