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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…

Quantum Physics · Physics 2021-12-06 Chee-Kong Lee , Jonathan Wei Zhong Lau , Liang Shi , Leong Chuan Kwek

Quantum computing (QC) introduces a novel mode of computation with the possibility of greater computational power that remains to be exploited - presenting exciting opportunities for high performance computing (HPC) applications. However,…

Quantum computing is a promising paradigm that may overcome the current computational power bottlenecks. The increasing maturity of quantum processors provides more possibilities for the development and implementation of quantum algorithms.…

Quantum Physics · Physics 2025-10-15 Ge Yan , Wenjie Wu , Yuheng Chen , Kaisen Pan , Xudong Lu , Zixiang Zhou , Yuhan Wang , Ruocheng Wang , Junchi Yan

Computational chemistry tools are widely used to study the behaviour of chemical phenomena. Yet, the complexity of these tools can make them inaccessible to non-specialists and challenging even for experts. In this work, we introduce El…

Designing and optimizing task-specific quantum circuits are crucial to leverage the advantage of quantum computing. Recent large language model (LLM)-based quantum circuit generation has emerged as a promising automatic solution. However,…

Artificial Intelligence · Computer Science 2025-10-02 Cong Yu , Valter Uotila , Shilong Deng , Qingyuan Wu , Tuo Shi , Songlin Jiang , Lei You , Bo Zhao

Quantum computers (QCs) are maturing. When QCs are powerful enough, they may be able to handle problems in chemistry, physics, and finance that are not classically solvable. However, the applicability of quantum algorithms to speed up…

Software Engineering · Computer Science 2022-11-15 Andriy Miranskyy , Mushahid Khan , Jean Paul Latyr Faye , Udson C. Mendes

Quantum algorithms have the potential to provide exponential speedups over some of the best known classical algorithms. These speedups may enable quantum devices to solve currently intractable problems such as those in the fields of…

Quantum Physics · Physics 2018-12-13 Ciarán Ryan-Anderson

QSE is emerging as a critical discipline to make quantum computing accessible to a broader developer community; however, most quantum development environments still require developers to engage with low-level details across the software…

Software Engineering · Computer Science 2026-03-17 Boshuai Ye , Arif Ali Khan , Teemu Pihkakoski , Peng Liang , Muhammad Azeem Akbar , Matti Silveri , Lauri Malmi

An introduction to the Quantum Chemistry Package (QCP), implemented in the computer algebra system Maple, is presented. The QCP combines sophisticated electronic structure methods and Maple's easy-to-use graphical interface to enable…

Physics Education · Physics 2021-04-01 Jason M. Montgomery , David A. Mazziotti

We present our successful implementation of the quantum electrodynamics coupled-cluster method with single and double excitations (QED-CCSD) for electronic and bosonic amplitudes, covering both individual and mixed excitation processes…

Quantum Physics · Physics 2024-09-12 Himadri Pathak , Nicholas P. Bauman , Ajay Panyala , Karol Kowalski

Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…

We present lambeq, the first high-level Python library for Quantum Natural Language Processing (QNLP). The open-source toolkit offers a detailed hierarchy of modules and classes implementing all stages of a pipeline for converting sentences…

We introduce an open source software package UniversalQCompiler written in Mathematica that allows the decomposition of arbitrary quantum operations into a sequence of single-qubit rotations (with arbitrary rotation angles) and…

In this research we present a quantum circuit for estimating algorithmic complexity using the coding theorem method. This accelerates inferring algorithmic structure in data for discovering causal generative models. The computation model is…

Quantum Physics · Physics 2020-09-21 Aritra Sarkar , Koen Bertels

Challenging combinatorial optimization problems are ubiquitous in science and engineering. Several quantum methods for optimization have recently been developed, in different settings including both exact and approximate solvers. Addressing…

Quantum Physics · Physics 2023-09-20 Nicolas PD Sawaya , Albert T Schmitz , Stuart Hadfield

Quantum chemistry calculations of large, strongly correlated systems are typically limited by the computation cost that scales exponentially with the size of the system. Quantum algorithms, designed specifically for quantum computers, can…

We introduce quantum pin codes: a class of quantum CSS codes. Quantum pin codes are a generalization of quantum color codes and Reed-Muller codes and share a lot of their structure and properties. Pin codes have gauge operators, an…

Quantum Physics · Physics 2022-05-03 Christophe Vuillot , Nikolas P. Breuckmann

Quantum computing (QC) is no longer only a scientific interest but is rapidly becoming an industrially available technology that can potentially tackle the limitations of classical computing. Over the last few years, major technology giants…

Software Engineering · Computer Science 2022-11-28 Muhammad Azeem Akbar , Arif Ali Khan , Sajjad Mahmood , Saima Rafi

As we begin to reach the limits of classical computing, quantum computing has emerged as a technology that has captured the imagination of the scientific world. While for many years, the ability to execute quantum algorithms was only a…

Quantum Physics · Physics 2020-11-12 Bela Bauer , Sergey Bravyi , Mario Motta , Garnet Kin-Lic Chan

Quantum computing has the potential to surpass the capabilities of current classical computers when solving complex problems. Combinatorial optimization has emerged as one of the key target areas for quantum computers as problems found in…

Quantum Physics · Physics 2023-07-27 Juan Giraldo , José Ossorio , Norha M. Villegas , Gabriel Tamura , Ulrike Stege
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