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We explore how the fundamental problems in quantum molecular dynamics can be modelled using classical simulators (emulators) of quantum computers and the actual quantum hardware available to us today. The list of problems we tackle includes…

Quantum Physics · Physics 2025-07-29 Tamila Kuanysheva , Brian Kendrick , Lukasz Cincio , Dmitri Babikov

We study efficient generations of random diagonal-unitary matrices, an ensemble of unitary matrices diagonal in a given basis with randomly distributed phases for their eigenvalues. Despite the simple algebraic structure, they cannot be…

Quantum Physics · Physics 2014-01-31 Yoshifumi Nakata , Mio Murao

In this paper, we firstly briefly review the duality quantum computer. Distinctly, the generalized quantum gates, the basic evolution operators in a duality quantum computer are no longer unitary, and they can be expressed in terms of…

Quantum Physics · Physics 2015-07-14 Shi-Jie Wei , Gui-Lu Long

Gate-based universal quantum computation is formulated in terms of two types of operations: local single-qubit gates, which are typically easily implementable, and two-qubit entangling gates, whose faithful implementation remains one of the…

Quantum Physics · Physics 2023-10-18 Xiaoqin Gao , Paul Appel , Nicolai Friis , Martin Ringbauer , Marcus Huber

Variational quantum algorithms (VQAs) are expected to be a path to quantum advantages on noisy intermediate-scale quantum devices. However, both empirical and theoretical results exhibit that the deployed ansatz heavily affects the…

Quantum Physics · Physics 2022-05-31 Yuxuan Du , Tao Huang , Shan You , Min-Hsiu Hsieh , Dacheng Tao

We construct a quantum algorithm that performs function-dependent phase transform and requires no initialization of an ancillary register. The algorithm recovers the initial state of an ancillary register regardless of whether its state is…

Quantum Physics · Physics 2007-05-23 Dong Pyo Chi , Jinsoo Kim , Soojoon Lee

Gate model quantum computers with too many qubits to be simulated by available classical computers are about to arrive. We present a strategy for programming these devices without error correction or compilation. This means that the number…

Quantum Physics · Physics 2017-03-21 E. Farhi , J. Goldstone , S. Gutmann , H. Neven

Due to the significant progress made in the implementation of quantum hardware, efficient methods and tools to design corresponding algorithms become increasingly important. Many of these tools rely on functional representations of certain…

Quantum Physics · Physics 2023-01-11 Lukas Burgholzer , Rudy Raymond , Indranil Sengupta , Robert Wille

It is well-known that simulating quantum circuits with low but non-zero hardware noise is more difficult than without noise. It requires either to perform density matrix simulations (coming with a space overhead) or to sample over "quantum…

Quantum Physics · Physics 2025-02-28 Etienne Granet , Kévin Hémery , Henrik Dreyer

The design of efficient quantum circuits is an important issue in quantum computing. It is in general a formidable task to find a highly optimized quantum circuit for a given unitary matrix. We propose a quantum circuit design method that…

Quantum Physics · Physics 2023-11-27 Andreas Klappenecker , Martin Roetteler

Quantum error-correcting codes are a vital technology for demonstrating reliable quantum computation. They require data qubits for encoding quantum information and ancillary qubits for taking error syndromes necessary for error correction.…

Quantum Physics · Physics 2025-08-12 Shintaro Sato , Yasunari Suzuki

Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulations employing minimal basis sets require fewer qubits and…

Quantum Physics · Physics 2022-08-17 Stefano Barison , Davide Emilio Galli , Mario Motta

In the study of open quantum systems, one typically obtains the decoherence dynamics by solving a master equation. The master equation is derived using knowledge of some basic properties of the system, the environment and their interaction:…

Quantum Physics · Physics 2011-06-22 Hefeng Wang , S. Ashhab , Franco Nori

Variational quantum algorithms that are used for quantum machine learning rely on the ability to automatically differentiate parametrized quantum circuits with respect to underlying parameters. Here, we propose the rules for differentiating…

Quantum Physics · Physics 2021-11-16 Oleksandr Kyriienko , Vincent E. Elfving

Practical applications of quantum computing depend on fault-tolerant devices with error correction. Today, the most promising approach is a class of error-correcting codes called surface codes. We study the problem of compiling quantum…

Quantum Physics · Physics 2025-04-29 Abtin Molavi , Amanda Xu , Swamit Tannu , Aws Albarghouthi

The synthesis of quantum operators involves decomposing general quantum gates into the gate set supported by a given quantum device. Multi-controlled gates are essential components in this process. In this work, we present an improved…

Quantum Physics · Physics 2025-08-13 Jefferson D. S. Silva , Adenilton J. da Silva

Simulating quantum systems with their environments often requires non-unitary operations, and mapping these to quantum devices often involves expensive dilations or prohibitive measurement costs to achieve desired precisions. Building on…

Quantum Physics · Physics 2025-02-03 Aman Mehta , Scott E. Smart , Joseph Peetz , David A. Mazziotti , Prineha Narang

We introduce an approach to compute reduced density matrices for local quantum unitary circuits of finite depth and infinite width. Suppose the time-evolved state under the circuit is a matrix-product state with bond dimension $D$; then the…

Quantum Physics · Physics 2019-09-04 Sarang Gopalakrishnan , Austen Lamacraft

The Quantum State Preparation problem aims to prepare an $n$-qubit quantum state $|\psi_v\rangle =\sum_{k=0}^{2^n-1}v_k|k\rangle$ from the initial state $|0\rangle^{\otimes n}$, for a given unit vector $v=(v_0,v_1,v_2,\ldots,v_{2^n-1})^T\in…

Quantum Physics · Physics 2023-02-23 Xiaoming Sun , Guojing Tian , Shuai Yang , Pei Yuan , Shengyu Zhang

Interconnecting clusters of qubits will be an essential element of scaling up future quantum computers. Operations between quantum processing units (QPUs) are usually significantly slower and costlier than those within a single QPU, so…

Quantum Physics · Physics 2022-09-09 Edwin Tham , Ilia Khait , Aharon Brodutch