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Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…

量子物理 · 物理学 2024-03-20 Chayan Patra , Sonaldeep Halder , Rahul Maitra

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,…

Molecular spin qudits based on lanthanide complexes offer a promising platform for quantum technologies, combining chemical tunability with multi-level encoding. However, experimental demonstrations of their envisaged capabilities remain…

In order to bring quantum networks into the real world, we would like to determine the requirements of quantum network protocols including the underlying quantum hardware. Because detailed architecture proposals are generally too complex…

Quantum Selected Configuration Interaction (QSCI) and an extended protocol known as Sample-based Quantum Diagonalization (SQD) have emerged as promising algorithms to solve the electronic Schr\"odinger equation with noisy quantum computers.…

量子物理 · 物理学 2025-08-26 Don Danilov , Javier Robledo-Moreno , Kevin J. Sung , Mario Motta , James Shee

Quantum computers have the potential to advance material design and drug discovery by performing costly electronic structure calculations. A critical aspect of this application requires optimizing the limited resources of the quantum…

Currently, quantum hardware is restrained by noises and qubit numbers. Thus, a quantum virtual machine that simulates operations of a quantum computer on classical computers is a vital tool for developing and testing quantum algorithms…

量子物理 · 物理学 2022-06-10 Chuong Nguyen Quoc , Le Bin Ho , Lan Nguyen Tran , Hung Q. Nguyen

Quantum computing crucially relies on the ability to efficiently characterize the quantum states output by quantum hardware. Conventional methods which probe these states through direct measurements and classically computed correlations…

We propose using the wave function generated by the quantum selected configuration interaction (QSCI) method as the trial wave function in phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC). In the QSCI framework, electronic…

The computational efficiency of a state of the art ab initio quantum transport (QT) solver, capable of revealing the coupled electro-thermal properties of atomically-resolved nano-transistors, has been improved by up to two orders of…

计算工程、金融与科学 · 计算机科学 2019-12-23 Alexandros Nikolaos Ziogas , Tal Ben-Nun , Guillermo Indalecio Fernández , Timo Schneider , Mathieu Luisier , Torsten Hoefler

We propose an architecture for realizing quantum information transfer (QIT). In this architecture, a LC circuit is used to induce the necessary interaction between flux qubits, each magnetically coupling to a nitrogen-vacancy center…

量子物理 · 物理学 2015-06-24 Feng-Yang Zhang , Chui-Ping Yang , He-Shan Song

Entanglement is a key quantity for characterizing quantum correlations in particle scattering processes, but its direct evaluation is computationally demanding on quantum hardware. In this work, we investigate whether fermion density…

量子物理 · 物理学 2026-04-08 Hala Elhag , Yahui Chai

Simulating electronic structure on a quantum computer requires encoding of fermionic systems onto qubits. Common encoding methods transform a fermionic system of $N$ spin-orbitals into an $N$-qubit system, but many of the fermionic…

量子物理 · 物理学 2022-06-07 Yu Shee , Pei-Kai Tsai , Cheng-Lin Hong , Hao-Chung Cheng , Hsi-Sheng Goan

Quantum computers have the potential to simulate chemical systems beyond the capability of classical computers. Recent developments in hybrid quantum-classical approaches enable the determinations of the ground or low energy states of…

量子物理 · 物理学 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

We propose a computational protocol for quantum simulations of Fermionic Hamiltonians on a quantum computer, enabling calculations which were previously not feasible with conventional encoding and ansatses of variational quantum…

量子物理 · 物理学 2023-03-15 Benchen Huang , Nan Sheng , Marco Govoni , Giulia Galli

Quasiparticle band structures are fundamental for understanding strongly correlated electron systems. While solving these structures accurately on classical computers is challenging, quantum computing offers a promising alternative.…

量子物理 · 物理学 2025-11-10 Takahiro Ohgoe , Hokuto Iwakiri , Kazuhide Ichikawa , Sho Koh , Masaya Kohda

In current noisy intermediate-scale quantum (NISQ) devices, hybrid quantum neural networks (HQNNs) offer a promising solution, combining the strengths of classical machine learning with quantum computing capabilities. However, the…

量子物理 · 物理学 2025-01-27 Tasnim Ahmed , Muhammad Kashif , Alberto Marchisio , Muhammad Shafique

Quantum computing has emerged as a promising platform for simulating strongly correlated systems in chemistry, for which the standard quantum chemistry methods are either qualitatively inaccurate or too expensive. However, due to the…

化学物理 · 物理学 2024-05-06 Max Rossmannek , Fabijan Pavošević , Angel Rubio , Ivano Tavernelli

Neural-Network Quantum State (NQS) has attracted significant interests as a powerful wave-function ansatz to model quantum phenomena. In particular, a variant of NQS based on the restricted Boltzmann machine (RBM) has been adapted to model…

量子物理 · 物理学 2019-12-09 Chang-yu Hsieh , Qiming Sun , Shengyu Zhang , Chee Kong Lee

Quantum machine learning is one of the most promising applications of quantum computing in the Noisy Intermediate-Scale Quantum(NISQ) era. Here we propose a quantum convolutional neural network(QCNN) inspired by convolutional neural…

量子物理 · 物理学 2021-04-23 ShiJie Wei , YanHu Chen , ZengRong Zhou , GuiLu Long