English
Related papers

Related papers: Improving Quantum Algorithms for Quantum Chemistry

200 papers

By precisely writing down the matrix element of the local Boltzmann operator, we have proposed a new path integral formulation for quantum field theory and developed a corresponding Monte Carlo algorithm. With current formula, the…

Strongly Correlated Electrons · Physics 2022-03-08 J. Wang , W. Pan , D. Y. Sun

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…

Decoherence of quantum hardware is currently limiting its practical applications. At the same time, classical algorithms for simulating quantum circuits have progressed substantially. Here, we demonstrate a hybrid framework that integrates…

Toward scalable quantum computing, the control of quantum systems needs to be robust against both coherent errors induced by parametric uncertainties and incoherent errors induced by environmental decoherence. This poses significant…

Quantum Physics · Physics 2025-07-11 Yidian Fan , Re-Bing Wu

We develop a fourth-order Magnus expansion based quantum algorithm for the simulation of many-body problems involving two-level quantum systems with time-dependent Hamiltonians, $\mathcal{H}(t)$. A major hurdle in the utilization of the…

Quantum Physics · Physics 2023-12-14 Guannan Chen , Mohammadali Foroozandeh , Chris Budd , Pranav Singh

Recent demonstrations of superconducting quantum computers by Google and IBM and trapped-ion computers from IonQ fueled new research in quantum algorithms, compilation into quantum circuits, and empirical algorithmics. While online access…

Quantum Physics · Physics 2020-11-26 Aneeqa Fatima , Igor L. Markov

Variational algorithms are a promising paradigm for utilizing near-term quantum devices for modeling electronic states of molecular systems. However, previous bounds on the measurement time required have suggested that the application of…

Many quantum algorithms, such as adiabatic algorithms (e.g. AQC) and phase randomisation, require simulating Hamiltonian evolution. In addition, the simulation of physical systems is an important objective in its own right. In many cases,…

Quantum Physics · Physics 2025-03-04 Benoît Dubus , Joseph Cunningham , Jérémie Roland

In this work, we investigate the capability of known quantum-computing algorithms for fault-tolerant quantum computing to simulate the laser-driven electron dynamics in small molecules such as lithium hydride. These computations are…

Quantum Physics · Physics 2022-05-24 Fabian Langkabel , Annika Bande

As physical implementations of quantum architectures emerge, it is increasingly important to consider the cost of algorithms for practical connectivities between qubits. We show that by using an arrangement of gates that we term the…

Digital-analog quantum computation aims to reduce the currently infeasible resource requirements needed for near-term quantum information processing by replacing sequences of one- and two-qubit gates with a unitary transformation generated…

Quantum algorithm design usually assumes access to a perfect quantum computer with ideal properties like full connectivity, noise-freedom and arbitrarily long coherence time. In Noisy Intermediate-Scale Quantum (NISQ) devices, however, the…

Quantum Physics · Physics 2020-09-11 Xiangzhen Zhou , Sanjiang Li , Yuan Feng

Quantum algorithms for selecting a subspace of Hamiltonians to diagonalize have emerged as a promising alternative to variational algorithms in the NISQ era. So far, such algorithms, which include the quantum selected configuration…

A highly anticipated use of quantum computers is the simulation of complex quantum systems including molecules and other many-body systems. One promising method involves directly applying a linear combination of unitaries (LCU) to…

Quantum Physics · Physics 2022-02-02 Richard Meister , Simon C. Benjamin , Earl T. Campbell

Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science. We report…

We study the efficiency of algorithms simulating a system evolving with Hamiltonian $H=\sum_{j=1}^m H_j$. We consider high order splitting methods that play a key role in quantum Hamiltonian simulation. We obtain upper bounds on the number…

Quantum Physics · Physics 2010-10-12 Anargyros Papageorgiou , Chi Zhang

We provide a new approach for compiling quantum simulation circuits that appear in Trotter, qDRIFT and multi-product formulas to Clifford and non-Clifford operations that can reduce the number of non-Clifford operations by a factor of up to…

Quantum Physics · Physics 2023-05-09 Priyanka Mukhopadhyay , Nathan Wiebe , Hong Tao Zhang

Simulation of quantum systems is expected to be one of the most important applications of quantum computing, with much of the theoretical work so far having focused on fermionic and spin-$\frac{1}{2}$ systems. Here, we instead consider…

Quantum error correction is an important ingredient for scalable quantum computing. Stabilizer codes are one of the most promising and straightforward ways to correct quantum errors, are convenient for logical operations, and improve…

Quantum Physics · Physics 2025-02-07 Ilya. A. Simakov , Ilya. S. Besedin

We propose a hybrid approach to simulate quantum many body dynamics by combining Trotter based quantum algorithm with classical dynamic mode decomposition. The interest often lies in estimating observables rather than explicitly obtaining…

Quantum Physics · Physics 2023-07-31 Niladri Gomes , Jia Yin , Siyuan Niu , Chao Yang , Wibe Albert de Jong