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We present a novel combination of numerical techniques to improve the efficiency, accuracy, and robustness of multi-component compressible flow simulations. At the core of our approach is an Entropy-Stable formulation that preserves kinetic…

计算工程、金融与科学 · 计算机科学 2025-06-17 Vahid Badrkhani , T. Jeremy P. Karpowsk , Christian Hasse

We present a fully conservative, skew-symmetric finite difference scheme on transformed grids. The skew-symmetry preserves the kinetic energy by first principles, simultaneously avoiding a central instability mechanism and numerical…

流体动力学 · 物理学 2013-09-02 Julius Reiss , Jörn Sesterhenn

We present a version of the stochastic maximum principle (SMP) for ergodic control problems. In particular we give necessary (and sufficient) conditions for optimality for controlled dissipative systems in finite dimensions. The strategy we…

概率论 · 数学 2019-08-05 Carlo Orrieri , Gianmario Tessitore , Petr Veverka

The simulation of excited states at low computational cost remains an open challenge for electronic structure (ES) methods. While much attention has been given to orthogonal ES methods, relatively little work has been done to develop…

化学物理 · 物理学 2025-03-14 Ericka Roy Miller , Shane M. Parker

In this paper, we consider a mass conservation, positivity and energy identical-relation preserving scheme for the Navier-Stokes equations with variable density. Utilizing the square transformation, we first ensure the positivity of the…

数值分析 · 数学 2026-01-13 Fan Yang , Haiyun Dong , Maojun Li , Kun Wang

Approximating a function with a finite series, e.g., involving polynomials or trigonometric functions, is a critical tool in computing and data analysis. The construction of such approximations via now-standard approaches like least squares…

最优化与控制 · 数学 2021-08-30 Dihan Dai , Yekaterina Epshteyn , Akil Narayan

In this work, the development and implementation of the effective stochastic potential (ESP) method is presented to perform efficient conformational sampling of molecules. The overarching goal of this work is to alleviate the computational…

化学物理 · 物理学 2018-08-01 Jeremy A. Scher , Michael G. Bayne , Amogh Srihari , Shikha Nangia , Arindam Chakraborty

In this paper, we present a novel spectral renormalization exponential integrator method for solving gradient flow problems. Our method is specifically designed to simultaneously satisfy discrete analogues of the energy dissipation laws and…

数值分析 · 数学 2023-10-03 Dianming Hou , Lili Ju , Zhonghua Qiao

We present a systematical approach to developing arbitrarily high order, unconditionally energy stable numerical schemes for thermodynamically consistent gradient flow models that satisfy energy dissipation laws. Utilizing the energy…

数值分析 · 数学 2020-02-19 Yuezheng Gong , Jia Zhao , Qi Wang

In [1] is proposed a simplified DeC method, that, when combined with the residual distribution (RD) framework, allows to construct a high order, explicit FE scheme with continuous approximation avoiding the inversion of the mass matrix for…

数值分析 · 数学 2022-11-17 Rémi Abgrall , Elise Le Mélédo , Philipp Öffner , Davide Torlo

In this paper, we systematically investigate the feasibility of different extremum-seeking (ES) control schemes to improve the conversion efficiency of wave energy converters (WECs). Continuous-time and model-free ES schemes based on the…

We present a numerical scheme for approximating the incompressible Navier-Stokes equations based on an auxiliary variable associated with the total system energy. By introducing a dynamic equation for the auxiliary variable and…

流体动力学 · 物理学 2019-05-01 Lianlei Lin , Suchuan Dong

Linear dissipative differential equation is a fundamental model for a large number of physical systems, such as quantum dynamics with non-Hermitian Hamiltonian, open quantum system dynamics, diffusion process and damped system. In this…

量子物理 · 物理学 2025-08-22 Gengzhi Yang , Akwum Onwunta , Dong An

We present an energy/entropy stable and high order accurate finite difference (FD) method for solving the nonlinear (rotating) shallow water equations (SWEs) in vector invariant form using the newly developed dual-pairing and…

In this paper, we consider numerical approximations for solving the nonlinear magneto-hydrodynamical system, that couples the Navier-Stokes equations and Maxwell equations together. A challenging issue to solve this model numerically is…

数值分析 · 数学 2017-11-28 Guodong Zhang , Xiaoming He , Xiaofeng Yang

A new exponentially fitted version of the Discrete Variational Derivative method for the efficient solution of oscillatory complex Hamiltonian Partial Differential Equations is proposed. When applied to the nonlinear Schroedinger equation,…

数值分析 · 数学 2022-02-02 Dajana Conte , Gianluca Frasca-Caccia

We propose a novel, highly efficient, mean-reverting-SAV-BDF2-based, long-time unconditionally stable numerical scheme for a class of finite-dimensional nonlinear models important in geophysical fluid dynamics. The scheme is highly…

数值分析 · 数学 2025-04-15 Jack Coleman , Daozhi Han , Xiaoming Wang

We present an efficient and flexible method for solving the non-linear lasing equations of the steady-state ab initio laser theory. Our strategy is to solve the underlying system of partial differential equations directly, without the need…

This paper presents the construction of two numerical schemes for the solution of hyperbolic systems with relaxation source terms. The methods are built by considering the relaxation system as a whole, without separating the resolution of…

数值分析 · 数学 2025-10-03 C Mahmoud , H Mathis

We construct a fully discrete numerical scheme that is linear, decoupled, and unconditionally energy stable, and analyze its optimal error estimates for the Cahn-Hilliard-Navier-Stokes equations. For time discretization, we employ the two…

数值分析 · 数学 2025-02-24 Haijun Gao , Xi Li , Cheng Wang , Minfu Feng