English
Related papers

Related papers: Towards Quantum Advantage in Chemistry

200 papers

While recent breakthroughs have proven the ability of noisy intermediate-scale quantum (NISQ) devices to achieve quantum advantage in classically-intractable sampling tasks, the use of these devices for solving more practically relevant…

Quantum Computers (QCs), once they mature, will be able to solve some problems faster than Classic Computers. This phenomenon is called "quantum advantage" (or a stronger term "quantum supremacy"). Quantum advantage will help us to speed up…

Software Engineering · Computer Science 2020-04-13 Lei Zhang , Andriy Miranskyy , Walid Rjaibi

We give a natural problem over input quantum oracles $U$ which cannot be solved with exponentially many black-box queries to $U$ and $U^\dagger$, but which can be solved with constant many queries to $U$ and $U^*$, or $U$ and…

Quantum Physics · Physics 2026-05-11 Ewin Tang , John Wright , Mark Zhandry

Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…

Chemical Physics · Physics 2025-11-12 Yanxian Tao , Lingyun Wan , Xiongzhi Zeng , Yingdi Jin , Jie Liu , Zhenyu Li , Jinlong Yang

Quantum computing promises to revolutionize several scientific and technological domains through fundamentally new ways of processing information. Among its most compelling applications is digital quantum simulation, where quantum computers…

Quantum Physics · Physics 2026-02-05 Laurin E. Fischer

Quantum computing is expected to have transformative influences on many domains, but its practical deployments on industry problems are underexplored. We focus on applying quantum computing to operations management problems in industry, and…

Quantum Physics · Physics 2023-01-13 Hansheng Jiang , Zuo-Jun Max Shen , Junyu Liu

Quantum algorithms based on quantum kernel methods have been investigated previously [1]. A quantum advantage is derived from the fact that it is possible to construct a family of datasets for which, only quantum processing can recognise…

Quantum Physics · Physics 2024-05-08 Sanjeev Naguleswaran

Quantum computing promises to provide the next step up in computational power for diverse application areas. In this review, we examine the science behind the quantum hype, and the breakthroughs required to achieve true quantum advantage in…

Quantum Physics · Physics 2025-09-26 R. Au-Yeung , B. Camino , O. Rathore , V. Kendon

Utilizing quantum computer to investigate quantum chemistry is an important research field nowadays. In addition to the ground-state problems that have been widely studied, the determination of excited-states plays a crucial role in the…

First quantum computers very recently have demonstrated "quantum supremacy" or "quantum advantage": Executing a computation that would have been impossible on a classical machine. Today's quantum computers follow the NISQ paradigm: They…

Quantum Physics · Physics 2023-01-30 Sebastian Brandhofer , Simon Devitt , Thomas Wellens , Ilia Polian

Compilation optimizes quantum algorithms performances on real-world quantum computers. To date, it is performed via classical optimization strategies. We introduce a class of quantum algorithms to perform compilation via quantum computers,…

Quantum Physics · Physics 2025-09-25 Davide Rattacaso , Daniel Jaschke , Marco Ballarin , Ilaria Siloi , Simone Montangero

The emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous…

Atomic Physics · Physics 2021-08-23 Sumeet , V. S. Prasannaa , B. P. Das , B. K. Sahoo

Quantum computers process information with the laws of quantum mechanics. Current quantum hardware is noisy, can only store information for a short time, and is limited to a few quantum bits, i.e., qubits, typically arranged in a planar…

Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…

Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit, which is…

Quantum Physics · Physics 2024-06-07 Shu Kanno , Hajime Nakamura , Takao Kobayashi , Shigeki Gocho , Miho Hatanaka , Naoki Yamamoto , Qi Gao

Over the past decades, atomistic simulations of chemical, biological and materials systems have become increasingly precise and predictive thanks to the development of accurate and efficient techniques that describe the quantum mechanical…

Chemical Physics · Physics 2018-03-13 Thomas E. Markland , Michele Ceriotti

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…

Quantum Physics · Physics 2025-11-17 Yukun Zhang , Yifei Huang , Jinzhao Sun , Dingshun Lv , Xiao Yuan

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,…

QubitSolve is working on a quantum solution for computational fluid dynamics (CFD). We have created a variational quantum CFD (VQCFD) algorithm and a 2D Software Prototype based on it. By testing the Software Prototype on a quantum…

Quantum Physics · Physics 2024-07-03 Madhava Syamlal , Carter Copen , Masashi Takahashi , Benjamin Hall

Quantum computers hold promise for solving problems intractable for classical computers, especially those with high time or space complexity. Practical quantum advantage can be said to exist for such problems when the end-to-end time for…

Quantum Physics · Physics 2025-09-22 Parikshit Pareek , Abhijith Jayakumar , Carleton Coffrin , Sidhant Misra