相关论文: Parallel iQCC Enables 200 Qubit Scale Quantum Chem…

First-quantized, real-space formulations of quantum chemistry on quantum computers are appealing: qubit count scales logarithmically with spatial resolution, and Coulomb operators achieve quadratic instead of quartic computational scaling…

We present a comprehensive end-to-end framework for simulating the real-time dynamics of chemical systems on a fault-tolerant quantum computer, incorporating both electronic and nuclear quantum degrees of freedom. An all-particle simulation…

We present a computational platform for modeling chemical reactions in complex molecular environments, focused on ligand-protein binding in drug discovery. The platform implements our new quantum-in-quantum-in-classical (QM/QM/MM)…

Simulating quantum imaginary-time evolution (QITE) is a major promise of quantum computation. However, the known algorithms are either probabilistic (repeat until success) with impractically small success probabilities or coherent (quantum…

For decades, computational chemistry has been posited as one of the areas in which quantum computing would revolutionize. However, the algorithmic advantages that fault-tolerant quantum computers have for chemistry can be overwhelmed by…

Quantum reservoir computing (QRC) is a hardware-implementation-friendly quantum neural network scheme with minimal physical system requirements and a proven advantage over classical counterparts. We use an extension of the positive-P phase…

Recent works have shown that quantum computers can polynomially speed up certain SAT-solving algorithms even when the number of available qubits is significantly smaller than the number of variables. Here we generalise this approach. We…

Quantum computing and quantum Monte Carlo (QMC) are respectively the state-of-the-art quantum and classical computing methods for understanding many-body quantum systems. Here, we propose a hybrid quantum-classical algorithm that integrates…

Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…

We demonstrate an end-to-end workflow to model chemical reaction barriers with the quantum-classical auxiliary field quantum Monte Carlo (QC-AFQMC) algorithm with quantum tomography using matchgate shadows. The workflow operates within an…

Realizing a conceptual quantum algorithm on an actual physical device necessitates the algorithm's quantum circuit description to undergo certain transformations in order to adhere to all constraints imposed by the hardware. In this regard,…

We introduce new parallel algorithms for efficiently simulating stabilizer (Clifford) circuits on GPUs, with a focus on data-parallel tableau evolution and scalable handling of projective measurements. Our approach reformulates key…

This paper presents a comprehensive software stack architecture for integrating quantum computing (QC) capabilities with High-Performance Computing (HPC) environments. While quantum computers show promise as specialized accelerators for…

In the span of four decades, quantum computation has evolved from an intellectual curiosity to a potentially realizable technology. Today, small-scale demonstrations have become possible for quantum algorithmic primitives on hundreds of…

Quantum computers are expected to help us to achieve accurate simulation of the dynamics of many-body quantum systems. However, the limitations of current NISQ devices prevents us from realising this goal today. Recently an algorithm for…

Quantum computing holds great potential to accelerate the process of solving complex combinatorial optimization problems. The Distributed Quantum Approximate Optimization Algorithm (DQAOA) addresses high-dimensional, dense problems using…

The accelerated progress in manufacturing noisy intermediate-scale quantum (NISQ) computing hardware has opened the possibility of exploring its application in transforming approaches to solving computationally challenging problems. The…

Quantum computing is performed on Noisy Intermediate-Scale Quantum (NISQ) hardware in the short term. Only small circuits can be executed reliably on a quantum machine due to the unavoidable noisy quantum operations on NISQ devices, leading…

We have developed a new version of the high-performance J\"ulich universal quantum computer simulator (JUQCS-50) that leverages key features of the GH200 superchips as used in the JUPITER supercomputer, enabling simulations of a 50-qubit…

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…