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Efficient hybrid DFT simulations of solid state materials would be extremely beneficial for computational chemistry and materials science, but is presently bottlenecked by difficulties in computing Hartree-Fock (HF) exchange with plane wave…

Chemical Physics · Physics 2024-10-30 Yuanheng Wang , Diptarka Hait , Pablo A. Unzueta , Juncheng Harry Zhang , Todd J. Martínez

To simulate the dynamics of fluid with polydisperse particles on macroscale level, one has to solve hydrodynamic equations with several relaxation terms, representing momentum transfer from fluid to particles and vice versa. For small…

With rheology applications in mind, we present a fast solver for the time-dependent effective viscosity of an infinite lattice containing one or more neutrally buoyant smooth rigid particles per unit cell, in a two-dimensional Stokes fluid…

Numerical Analysis · Mathematics 2019-12-11 Jun Wang , Ehssan Nazockdast , Alex Barnett

In this study, we utilized the quantum flow (QFlow) method to perform quantum simulations of correlated systems. The QFlow approach allows for sampling large sub-spaces of the Hilbert space by solving coupled variational problems in reduced…

Quantum Physics · Physics 2024-10-17 Karol Kowalski , Nicholas P. Bauman

In this paper, we present a new method to solve a certain type of Semidefinite Programming (SDP) problems. These types of SDPs naturally arise in the Quadratic Convex Reformulation (QCR) method and can be used to obtain dual bounds of…

Optimization and Control · Mathematics 2023-12-27 Apostolos Chalkis , Thomas Kleinert , Boro Sofranac

Boundary integral numerical methods are among the most accurate methods for interfacial Stokes flow, and are widely applied. They have the advantage that only the boundary of the domain must be discretized, which reduces the number of…

Numerical Analysis · Mathematics 2021-05-18 David M. Ambrose , Michael Siegel , Keyang Zhang

We present a robust and efficient method for simulating Lagrangian solid-fluid coupling based on a new operator splitting strategy. We use variational formulations to approximate fluid properties and solid-fluid interactions, and introduce…

Graphics · Computer Science 2023-01-06 Tianyi Xie , Minchen Li , Yin Yang , Chenfanfu Jiang

We present a collision model for phase-resolved Direct Numerical Simulations of sediment transport that couple the fluid and particles by the Immersed Boundary Method. Typically, a contact model for these types of simulations comprises a…

Fluid Dynamics · Physics 2017-04-18 Edward Biegert , Bernhard Vowinckel , Eckart Meiburg

Recent developments in vortex particle methods for simulating three-dimensional incompressible flows are presented. A lightweight, dynamic Large-Eddy Simulation model is tested, featuring a dynamic procedure that relies solely on Lagrangian…

Fluid Dynamics · Physics 2026-01-13 Flavio A. C. Martins , Alexander van Zuijlen , Carlos J. Simao Ferreira

An immersed-boundary method for the incompressible Navier--Stokes equations is presented. It employs discrete forcing for a sharp discrimination of the solid-fluid interface, and achieves second-order accuracy, demonstrated in examples with…

In this paper, we consider the scattering of a plane wave by a rigid obstacle embedded in a homogeneous and isotropic elastic medium in three dimensions. Based on the Helmholtz decomposition, the elastic scattering problem is reduced to a…

Numerical Analysis · Mathematics 2022-09-14 Heping Dong , Jun Lai , Peijun Li

In this work, we develop a fast and accurate method for the scattering of flexural-gravity waves by a thin plate of varying thickness overlying a fluid of infinite depth. This problem commonly arises in the study of sea ice and ice shelves,…

Numerical Analysis · Mathematics 2025-01-03 Travis Askham , Jeremy G. Hoskins , Peter Nekrasov , Manas Rachh

Simulating Clifford and near-Clifford circuits using the extended stabilizer formalism has become increasingly popular, particularly in quantum error correction. Compared to the state-vector approach, the extended stabilizer formalism can…

Quantum Physics · Physics 2026-05-18 Vu Tuan Hai , Bui Cao Doanh , Le Vu Trung Duong , Pham Hoai Luan , Yasuhiko Nakashima

We present a fast spectral solver for the linear response of viscoelastic structures under oscillatory flow either in free space or close to a flat moving wall. The scheme works in the frequency domain (using phasors) and couples the…

Mesoscale and Nanoscale Physics · Physics 2025-11-26 Pablo Palacios Alonso , Raúl Pérez Peláez , Rafael Delgado-Buscalioni

The present contribution introduces a fourth-order moment formalism for particle trajectory crossing (PTC) in the framework of multiscale modeling of disperse multiphase flow. In our previous work, the ability to treat PTC was examined with…

Numerical Analysis · Mathematics 2018-09-07 Christophe Chalons , Frédérique Laurent , Marc Massot , Aymeric Vié

In this paper, a new algorithm based on differential geometry viewpoint to solve the 3D rotating Navier-Stokes equations with complex Boundary is proposed, which is called Bi-parallel algorithm. For xample, it can be applied to passage flow…

Mathematical Physics · Physics 2011-02-08 Kaitai Li , Demin Liu

We apply boundary integral equations for the first time to the two-dimensional scattering of time-harmonic waves from a smooth obstacle embedded in a continuously-graded unbounded medium. In the case we solve the square of the wavenumber…

Numerical Analysis · Mathematics 2016-05-04 Alex. H. Barnett , Bradley J. Nelson , J. Matthew Mahoney

Boundary integral equations are an efficient and accurate tool for the numerical solution of elliptic boundary value problems. The solution is expressed as a layer potential; however, the error in its evaluation grows large near the…

Numerical Analysis · Mathematics 2013-10-22 Alex H. Barnett

For quantum computing (QC) to emerge as a practically indispensable computational tool, there is a need for quantum protocols with an end-to-end practical applications -- in this instance, fluid dynamics. We debut here a high performance…

Quantum Physics · Physics 2023-12-05 Sachin S. Bharadwaj , Katepalli R. Sreenivasan

We develop a semi-implicit algorithm for time-accurate simulation of the compressible Navier-Stokes equations, with special reference to wall-bounded flows. The method is based on linearization of the partial convective fluxes associated…

Fluid Dynamics · Physics 2016-08-31 Davide Modesti , Sergio Pirozzoli