Related papers: Improving Quantum Algorithms for Quantum Chemistry

Quantum simulation has shown great potential in many fields due to its powerful computational capabilities. However, the limited fidelity can lead to a severe limitation on the number of gate operations, which requires us to find optimized…

Quantum computers are the ideal platform for quantum simulations. Given enough coherent operations and qubits, such machines can be leveraged to simulate strongly correlated materials, where intricate quantum effects give rise to…

As first proposed for the adiabatic quantum information processing by Wu, Byrd and Lidar [ Phys. Rev. Lett. 89, 057904 (2002)], the Trotterization technique is a very useful tool for universal quantum computing, and in particular, the…

Simulation of materials is one of the most promising applications of quantum computers. On near-term hardware the crucial constraint on these simulations is circuit depth. Many quantum simulation algorithms rely on a layer of unitary…

Computational chemistry is an essential tool in the pharmaceutical industry. Quantum computing is a fast evolving technology that promises to completely shift the computational capabilities in many areas of chemical research by bringing…

We propose an iterative variational quantum algorithm to simulate the time evolution of arbitrary initial states within a given subspace. The algorithm compresses the Trotter circuit into a shorter-depth parameterized circuit, which is…

Quantum chemistry and materials science are among the most promising areas for demonstrating algorithmic quantum advantage and quantum utility due to their inherent quantum mechanical nature. Still, large-scale simulations of quantum…

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can only be applied to small systems. By contrast, we demonstrate that quantum…

Since simulating quantum computers requires exponentially more classical resources, efficient algorithms are extremely helpful. We analyze algorithms that create single qubit and specific controlled qubit matrix representations of gates.…

Reducing the complexity of quantum algorithms to treat quantum chemistry problems is essential to demonstrate an eventual quantum advantage of Noisy-Intermediate Scale Quantum (NISQ) devices over their classical counterpart. Significant…

We investigate the quantum algorithm of Babbush et al. (arXiv:2303.13012v3) for simulating coupled harmonic oscillators, which promises exponential speedups over classical methods. Focusing on linearly connected oscillator chains, we bridge…

Hamiltonian simulation represents an important module in a large class of quantum algorithms and simulations such as quantum machine learning, quantum linear algebra methods, and modeling for physics, material science and chemistry. One of…

Quantum simulation is a popular application of quantum computing, but its practical realization is hindered by the technical limitations of current devices. In this work, we focus on preprocessing Hamiltonians before Trotterization to…

Quantum algorithms for quantum dynamics simulations are traditionally based on implementing a Trotter-approximation of the time-evolution operator. This approach typically relies on deep circuits and is therefore hampered by the substantial…

Simulation of quantum chemistry is expected to be a principal application of quantum computing. In quantum simulation, a complicated Hamiltonian describing the dynamics of a quantum system is decomposed into its constituent terms, where the…

Quantum chemistry simulations on a quantum computer suffer from the overhead needed for encoding the fermionic problem in a bosonic system of qubits. By exploiting the block diagonality of a fermionic Hamiltonian, we show that the number of…

We describe a simple, efficient method for simulating Hamiltonian dynamics on a quantum computer by approximating the truncated Taylor series of the evolution operator. Our method can simulate the time evolution of a wide variety of…

The most scalable proposed methods of simulating lattice fermions on noisy quantum computers employ encodings that eliminate nonlocal operators using a constant factor more qubits and a nontrivial stabilizer group. In this work, we…

Quantum-circuit optimization is essential for any practical realization of quantum computation, in order to beat decoherence. We present a scheme for implementing the final stage in the compilation of quantum circuits, i.e., for finding the…

Digital quantum simulation relies on Trotterization to discretize time evolution into elementary quantum gates. On current quantum processors with notable gate imperfections, there is a critical tradeoff between improved accuracy for finer…