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Great progress has been made in quantum computing in recent years, providing opportunities to overcome computation resource poverty in many scientific computations like computational fluid dynamics (CFD). In this work, efforts are made to…

Computational Physics · Physics 2025-07-29 Chuang-Chao Ye , Ning-Bo An , Teng-Yang Ma , Meng-Han Dou , Wen Bai , Zhao-Yun Chen , Guo-Ping Guo

Quantum computing promises the ability to compute properties of quantum systems exponentially faster than classical computers. Quantum advantage is achieved when a practical problem is solved more efficiently on a quantum computer than on a…

Quantum Physics · Physics 2025-12-03 William A. Simon , Peter J. Love

Quantum computers are emerging as a viable alternative to tackle certain computational problems that are challenging for classical computers. With the rapid development of quantum hardware such as those based on trapped ions, there is…

Quantum Physics · Physics 2023-02-07 Saikat Ray Majumder , Annarita Giani , Weiwei Shen , Bogdan Neculaes , Daiwei Zhu , Sonika Johri

Design considerations for molecular dynamics algorithms capable of taking advantage of the computational power of a graphics processing unit (GPU) are described. Accommodating the constraints of scalable streaming-multiprocessor hardware…

Computational Physics · Physics 2011-01-27 D. C. Rapaport

Analog photonic solutions offer unique opportunities to address complex computational tasks with unprecedented performance in terms of energy dissipation and speeds, overcoming current limitations of modern computing architectures based on…

Quantum computing has the potential to deliver large advantages on computational tasks, but advantages for practical tasks are not yet achievable with current hardware. Quantum sensing is an entirely separate quantum technology that can…

Quantum Physics · Physics 2025-07-24 Saeed A. Khan , Sridhar Prabhu , Logan G. Wright , Peter L. McMahon

Simulating the dynamics of non-equilibrium matter under extreme conditions lies beyond the capabilities of classical computation alone. Remarkable advances in quantum information science and technology are profoundly changing how we…

Nuclear Theory · Physics 2025-04-01 Martin J. Savage

Calculating free energy differences is a topic of substantial interest and has many applications including molecular docking and hydration, solvation, and binding free energies which is used in computational drug discovery. However, in…

Chemical Physics · Physics 2013-10-16 Asaf Farhi

Traditional computers work with finite numbers. Situations where the usage of infinite or infinitesimal quantities is required are studied mainly theoretically. In this paper, a recently introduced computational methodology (that is not…

Numerical Analysis · Mathematics 2012-03-15 Yaroslav D. Sergeyev

The past few years have witnessed the concrete and fast spreading of quantum technologies for practical computation and simulation. In particular, quantum computing platforms based on either trapped ions or superconducting qubits have…

Quantum Physics · Physics 2020-04-21 Francesco Tacchino , Alessandro Chiesa , Stefano Carretta , Dario Gerace

Numerical simulation of fluids plays an essential role in modeling many physical phenomena, such as weather, climate, aerodynamics and plasma physics. Fluids are well described by the Navier-Stokes equations, but solving these equations at…

Fluid Dynamics · Physics 2022-04-27 Dmitrii Kochkov , Jamie A. Smith , Ayya Alieva , Qing Wang , Michael P. Brenner , Stephan Hoyer

Digital quantum computers promise exponential speedups in performing quantum time-evolution, providing an opportunity to simulate quantum dynamics of complex systems in physics and chemistry. However, the task of extracting desired quantum…

Quantum Physics · Physics 2025-03-10 Chong Hian Chee , Daniel Leykam , Adrian M. Mak , Kishor Bharti , Dimitris G. Angelakis

We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…

Chemical Physics · Physics 2025-06-24 Tomoya Shiota , Klaas Gunst , Toshio Mori , Toru Shiozaki , Wataru Mizukami

Quantum computing has the potential to provide exponential performance benefits in processing over classical computing. It utilizes quantum mechanics phenomena (such as superposition, entanglement, and interference) to solve a computational…

Quantum Physics · Physics 2023-03-08 Himanshu Sahu , Hari Prabhat Gupta

Quantum fluid (or hydrodynamic) models provide an attractive alternative for the modeling and simulation of the electron dynamics in nano-scale objects. Compared to more standard approaches, such as density functional theory or phase-space…

Quantum Physics · Physics 2021-10-12 Giovanni Manfredi , Paul-Antoine Hervieux , Jérôme Hurst

Quantum computing is an emerging technology, promising a paradigm shift in computing, and allowing for speedups in many different problems. However, quantum devices are still in their early stages, most with only a small number qubits. This…

Quantum Physics · Physics 2018-11-09 Adam Kelly

With quantum computers being out of reach for now, quantum simulators are the alternative devices for efficient and more exact simulation of problems that are challenging on conventional computers. Quantum simulators are classified into…

Quantum computing (QC) is a new paradigm offering the potential of exponential speedups over classical computing for certain computational problems. Each additional qubit doubles the size of the computational state space available to a QC…

Quantum Physics · Physics 2021-03-22 Wei Tang , Teague Tomesh , Martin Suchara , Jeffrey Larson , Margaret Martonosi

Simulating the quantum dynamics of molecules in the condensed phase represents a longstanding challenge in chemistry. Trapped-ion quantum systems may serve as a platform for the analog-quantum simulation of chemical dynamics that is beyond…

For the last few decades, classical machine learning has allowed us to improve the lives of many through automation, natural language processing, predictive analytics and much more. However, a major concern is the fact that we're fast…

Quantum Physics · Physics 2021-06-22 Arhum Ishtiaq , Sara Mahmood
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