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In this paper, we introduce a new scheme for the efficient numerical treatment of the electronic Schr\"odinger equation for molecules. It is based on the combination of a many-body expansion, which corresponds to the so-called bond order…

Numerical Analysis · Mathematics 2017-07-20 Sambasiva Rao Chinnamsetty , Michael Griebel , Jan Hamaekers

Exponential time differencing methods is a power tool for high-performance numerical simulation of computationally challenging problems in condensed matter physics, fluid dynamics, chemical and biological physics, where mathematical models…

Numerical Analysis · Mathematics 2024-10-15 Evelina V. Permyakova , Denis S. Goldobin

This paper presents a finite-volume method, together with fully adaptive multi-resolution scheme to obtain spatial adaptation, and a Runge-Kutta-Fehlberg scheme with a local time-varying step to obtain temporal adaptation, to solve…

Numerical Analysis · Mathematics 2008-10-20 Mostafa Bendahmane , Raimund Bürger , Ricardo Ruiz Baier

We consider Lie and Strang splitting for the time integration of constrained partial differential equations with a nonlinear reaction term. Since such systems are known to be sensitive with respect to perturbations, the splitting procedure…

Numerical Analysis · Mathematics 2016-07-27 Robert Altmann , Alexander Ostermann

Developing robust simulation tools for problems involving multiple mathematical scales has been a subject of great interest in computational mathematics and engineering. A desirable feature to have in a numerical formulation for multiscale…

Numerical Analysis · Computer Science 2015-06-19 S. Karimi , K. B. Nakshatrala

We present a real-space adaptive-coordinate method, which combines the advantages of the finite-difference approach with the accuracy and flexibility of the adaptive coordinate method. The discretized Kohn-Sham equations are written in…

mtrl-th · Physics 2009-10-28 Francois Gygi , Giulia Galli

This work introduces a time-adaptive strategy that uses a refinement estimator based on the first Frenet curvature. In dynamics, a time-adaptive strategy is a mechanism that interactively proposes changes to the time step used in iterative…

Numerical Analysis · Computer Science 2013-05-30 E. N. Lages , E. S. S. Silveira , D. T. Cintra , A. C. Frery

Stochastic programming can be applied to consider uncertainties in energy system optimization models for capacity expansion planning. However, these models become increasingly large and time-consuming to solve, even without considering…

Optimization and Control · Mathematics 2025-08-15 Shima Sasanpour , Manuel Wetzel , Karl-Kiên Cao , Hans Christian Gils , Andrés Ramos

We report on recent work on adaptive timestep control for weakly instationary gas flows [16, 18, 17] carried out within SFB 401, TPA3. The method which we implement and extend is a space-time splitting of adjoint error representations for…

Numerical Analysis · Mathematics 2014-05-22 Sebastian Noelle , Christina Steiner

An adaptive method for parabolic partial differential equations that combines sparse wavelet expansions in time with adaptive low-rank approximations in the spatial variables is constructed and analyzed. The method is shown to converge and…

Numerical Analysis · Mathematics 2024-02-02 Markus Bachmayr , Manfred Faldum

Multiresolution provides a fundamental tool based on the wavelet theory to build adaptive numerical schemes for Partial Differential Equations and time-adaptive meshes, allowing for error control. We have introduced this strategy before to…

Numerical Analysis · Mathematics 2021-05-31 Thomas Bellotti , Loïc Gouarin , Benjamin Graille , Marc Massot

We introduce a class of adaptive timestepping strategies for stochastic differential equations with non-Lipschitz drift coefficients. These strategies work by controlling potential unbounded growth in solutions of a numerical scheme due to…

Numerical Analysis · Mathematics 2016-10-14 Cónall Kelly , Gabriel J. Lord

This article is in continuation of our earlier article [37] in which computational solution of an unified reaction-diffusion equation of distributed order associated with Caputo derivatives as the time-derivative and Riesz-Feller derivative…

Analysis of PDEs · Mathematics 2012-11-02 R. K. Saxena , A. M. Mathai , H. J. Haubold

We study the Keller-Segel model of chemotaxis and develop a composite particle-grid numerical method with adaptive time stepping which allows us to accurately resolve singular solutions. The numerical findings (in two dimensions) are then…

Analysis of PDEs · Mathematics 2013-02-20 Ibrahim Fatkullin

Implicit time-stepping for advection is applied locally in space and time where Courant numbers are large, but standard explicit time-stepping is used for the remaining solution which is typically the majority. This adaptively implicit…

Fluid Dynamics · Physics 2024-06-14 Hilary Weller , Christian Kuehnlein , Piotr K. Smolarkiewicz

Reservoir computing is a machine learning algorithm that excels at predicting the evolution of time series, in particular, dynamical systems. Moreover, it has also shown superb performance at solving partial differential equations. In this…

Quantum Physics · Physics 2024-06-19 L. Domingo , J. Borondo , F. Borondo

Multiphysics systems are driven by multiple processes acting simultaneously, and their simulation leads to partitioned systems of differential equations. This paper studies the solution of partitioned systems of differential equations using…

Numerical Analysis · Mathematics 2019-12-04 Mahesh Narayanamurthi , Adrian Sandu

The machine learning explosion has created a prominent trend in modern computer hardware towards low precision floating-point operations. In response, there have been growing efforts to use low and mixed precision in general scientific…

Numerical Analysis · Mathematics 2024-03-19 Cody J. Balos , Steven Roberts , David J. Gardner

Although most scheduling problems are NP-hard, domain specific techniques perform well in practice but are quite expensive to construct. In adaptive problem-solving solving, domain specific knowledge is acquired automatically for a general…

Artificial Intelligence · Computer Science 2009-09-25 J. Gratch , S. Chien

Coupled nonlinear Schr\"odinger equations model various physical phenomena, such as wave propagation in nonlinear optics, multi-component Bose-Einstein condensates, and shallow water waves. Despite their extensive applications, analytical…

Numerical Analysis · Mathematics 2024-07-29 Nate Lovett , Harish Bhatt