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Differentiable programming has emerged as a structural prerequisite for gradient-based inverse problems and end-to-end hybrid physics--machine learning in computational fluid dynamics. However, existing differentiable CFD platforms are…

Mathematical Software · Computer Science 2026-03-18 Pan Du , Yongqi Li , Mingqi Xu , Jian-Xun Wang

Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials…

Quantum Physics · Physics 2026-01-26 Seongmin Kim , In-Saeng Suh , Travis S. Humble , Thomas Beck , Eungkyu Lee , Tengfei Luo

The stochastic finite volume method (SFV method) is a high-order accurate method for uncertainty quantification (UQ) in hyperbolic conservation laws. However, the computational cost of SFV method increases for high-dimensional stochastic…

Numerical Analysis · Mathematics 2026-05-19 Ray Qu , Jesse Chan , Svetlana Tokareva

We propose a complete quantum-classical hybrid branch-and-bound algorithm (QCBB) to solve binary linear programs with equality constraints. That includes bound calculation, convergence metrics and optimality guarantee to the quantum…

Quantum Physics · Physics 2026-02-03 András Czégel , Dávid Sipos , Boglárka G. -Tóth

Turbulent flow has been extensively studied using computational fluid dynamics (CFD) simulations since turbulent flow regime is so frequently encountered in both academic and engineering applications. The high-fidelity simulation of the…

Fluid Dynamics · Physics 2024-05-21 Minghan Chu

We propose a method for preparing the quantum state for a given velocity field, e.g., in fluid dynamics, via the spherical Clebsch wave function (SCWF). Using the pointwise normalization constraint for the SCWF, we develop a variational…

Quantum Physics · Physics 2024-06-10 Hao Su , Shiying Xiong , Yue Yang

Fluid flows are omnipresent in nature and engineering disciplines. The reliable computation of fluids has been a long-lasting challenge due to nonlinear interactions over multiple spatio-temporal scales. The compressible Navier-Stokes…

Fluid Dynamics · Physics 2021-12-10 Deniz A. Bezgin , Aaron B. Buhendwa , Nikolaus A. Adams

Despite the pursuit of quantum advantages in various applications, the power of quantum computers in neural network computations has mostly remained unknown, primarily due to a missing link that effectively designs a neural network model…

Quantum Physics · Physics 2021-06-25 Weiwen Jiang , Jinjun Xiong , Yiyu Shi

Quantum information science strives to leverage the quantum-mechanical nature of our universe in order to achieve large improvements in certain information processing tasks. In deep-space optical communications, current receivers for the…

Quantum Physics · Physics 2020-04-16 Narayanan Rengaswamy

Despite the fact that computational fluid dynamics (CFD) software is now (relatively) fast and freely available, it is still amazingly difficult to use. Inaccessible software imposes a significant entry barrier on students and junior…

Computational Physics · Physics 2015-10-26 Gabriel D. Weymouth

We describe how the fast quasi-centroid molecular dynamics (f-QCMD) method can be applied to condensed phase systems by approximating the quasi-centroid potential of mean force as a sum of inter- and intra-molecular corrections to the…

Chemical Physics · Physics 2023-10-20 Joseph E. Lawrence , Annina Z. Lieberherr , Theo Fletcher , David E. Manolopoulos

In recent years, applying deep learning to solve physics problems has attracted much attention. Data-driven deep learning methods produce fast numerical operators that can learn approximate solutions to the whole system of partial…

Machine Learning · Computer Science 2024-02-26 Yining Luo , Yingfa Chen , Zhen Zhang

Quantum computing exhibits the unique capability to natively and efficiently encode various natural phenomena, promising theoretical speedups of several orders of magnitude. However, not all computational tasks can be efficiently executed…

Software Engineering · Computer Science 2025-04-28 Vincenzo De Maio , Ivona Brandic , Ewa Deelman , Jürgen Cito

Vortex interactions are commonly observed in atmospheric turbulence, plasma dynamics, and collective behaviors in biological systems. However, accurately simulating these complex interactions is highly challenging due to the need to capture…

Quantum computers use quantum mechanical phenomena to perform conventionally intractable calculations for specific problems. Despite being universal machines, quantum computers are not expected to replace classical computers, but rather, to…

Emerging Technologies · Computer Science 2025-07-08 Philip Döbler , Manpreet Singh Jattana

The simulation of quantum dynamics on a digital quantum computer with parameterized circuits has widespread applications in fundamental and applied physics and chemistry. In this context, using the hybrid quantum-classical algorithm,…

Quantum Physics · Physics 2023-07-19 Tangyou Huang , Yongcheng Ding , Léonce Dupays , Yue Ban , Man-Hong Yung , Adolfo del Campo , Xi Chen

This work develops, for the first time, a face-centred finite volume (FCFV) solver for the simulation of laminar and turbulent viscous incompressible flows. The formulation relies on the Reynolds-averaged Navier-Stokes (RANS) equations…

Fluid Dynamics · Physics 2024-09-20 Luan M. Vieira , Matteo Giacomini , Ruben Sevilla , Antonio Huerta

We describe a fast implementation of the quasi-centroid molecular dynamics (QCMD) method in which the quasi-centroid potential of mean force is approximated as a separable correction to the classical interaction potential. This correction…

Chemical Physics · Physics 2021-11-24 Theo Fletcher , Andrew Zhu , Joseph E. Lawrence , David E. Manolopoulos

Computational fluid dynamics (CFD) provides high-fidelity simulations of fluid flows but remains computationally expensive for many-query applications. In recent years deep learning (DL) has been used to construct data-driven fluid-dynamic…

Machine Learning · Computer Science 2026-04-13 David Ramos , Lucas Lacasa , Fermín Gutiérrez , Eusebio Valero , Gonzalo Rubio

Quantum reservoir computing has emerged as a promising paradigm within the field of quantum machine learning, harnessing the inherent properties of quantum systems to optimise and enhance information processing capabilities. Here, we…

Quantum Physics · Physics 2025-09-03 Adam Burgess , Marian Florescu
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