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G-protein-coupled receptors (GPCRs), primary targets for over one-third of approved therapeutics, rely on intricate conformational transitions to transduce signals. While Molecular Dynamics (MD) is essential for elucidating this…

Quantitative Methods · Quantitative Biology 2026-02-05 Jiying Zhang , Shuhao Zhang , Pierre Vandergheynst , Patrick Barth

Solving for charged particle motion in electromagnetic fields (i.e. the particle pushing problem) is a computationally intensive component of particle-in-cell (PIC) methods for plasma physics simulations. This task is especially challenging…

Computational Physics · Physics 2026-01-01 Tri P. Nguyen , Ilon Joseph , Mayya Tokman

We extend the recently-developed explicit, energy-conserving particle-in-cell (PIC) scheme of [1] to the relativistic Vlasov-Maxwell system. As in the non-relativistic case, the method is built on an optimization problem that is…

Plasma Physics · Physics 2026-05-19 Lee Ricketson , Jingwei Hu

In this paper, two novel linear-implicit and momentum-preserving Fourier pseudo-spectral schemes are proposed and analyzed for the regularized long-wave equation. The numerical methods are based on the blend of the Fourier pseudo-spectral…

Numerical Analysis · Mathematics 2018-09-13 Qi Hong , Yushun Wang , Yuezheng Gong

The equations of motion of a single particle subject to an arbitrary electric and a static magnetic field form a Poisson system. We present a second-order time integration method which preserves well the Poisson structure and compare it to…

Numerical Analysis · Mathematics 2016-01-06 Christian Knapp , Alexander Kendl , Antti Koskela , Alexander Ostermann

We study a conservative system of two nonlinear coupled oscillators. The eigenmodes of the system are thus nonlinearly coupled, and one of them may induce a parametric amplification of the other, called an autoparametric resonance of the…

Statistical Mechanics · Physics 2022-06-01 Johann Maddi , Christophe Coste , Michel Saint Jean

Relativistic strongly magnetized plasmas are produced in laboratories thanks to state-of-the-art laser technology but can naturally be found around compact objects such as neutron stars and black holes. Detailed studies of the behaviour of…

Plasma Physics · Physics 2017-05-24 J. Pétri

We study the conservation properties of the Hermite-discontinuous Galerkin (Hermite-DG) approximation of the Vlasov-Maxwell equations. In this semi-discrete formulation, the total mass is preserved independently for every plasma species.…

An efficient, iterative semi-implicit (SI) numerical method for the time integration of stiff wave systems is presented. Physics-based assumptions are used to derive a convergent iterative formulation of the SI scheme which enables the…

Computational Physics · Physics 2008-07-02 N. F. Loureiro , G. W. Hammett

This paper investigates the equations of motion for a relativistic charged particle in a general magnetic field. By reformulating the dynamics in four-dimensional spacetime and separating the linear and nonlinear parts, we construct an…

Numerical Analysis · Mathematics 2026-03-24 Zhirui Shen , Bin Wang

The reduced-particle model is the central element for the systematic derivation of the gyrokinetic Vlasov-Maxwell equations from first principles. Coupled to the fields inside the gyrokinetic field-particle Lagrangian, the reduced-particle…

Plasma Physics · Physics 2017-05-24 Natalia Tronko , A Bottino , Cristel Chandre , E Sonnendruecker

This paper describes a fourth-order integration algorithm for the gravitational N-body problem based on discrete Lagrangian mechanics. When used with shared timesteps, the algorithm is momentum conserving and symplectic. We generalize the…

Astrophysics · Physics 2010-11-11 Will M. Farr , Edmund Bertschinger

Dynamic magnetic resonance imaging (dMRI) captures temporally-resolved anatomy but is often challenged by limited sampling and motion-induced artifacts. Conventional motion-compensated reconstructions typically rely on pre-estimated optical…

Computer Vision and Pattern Recognition · Computer Science 2025-11-24 Baoqing Li , Yuanyuan Liu , Congcong Liu , Qingyong Zhu , Jing Cheng , Yihang Zhou , Hao Chen , Zhuo-Xu Cui , Dong Liang

We propose a sparse grids based adaptive noise reduction strategy for electrostatic particle-in-cell (PIC) simulations. Our approach is based on the key idea of relying on sparse grids instead of a regular grid in order to increase the…

In plasma simulations, where the speed of light divided by a characteristic length is at a much higher frequency than other relevant parameters in the underlying system, such as the plasma frequency, implicit methods begin to play an…

Numerical Analysis · Mathematics 2016-06-30 Yingda Cheng , Andrew J. Christlieb , Wei Guo , Benjamin Ong

We investigate a high-order, fully explicit, asymptotic-preserving scheme for a kinetic equation with linear relaxation, both in the hydrodynamic and diffusive scalings in which a hyperbolic, resp. parabolic, limiting equation exists. The…

Numerical Analysis · Mathematics 2014-05-21 Pauline Lafitte , Annelies Lejon , Giovanni Samaey

The study of metamaterials and architected materials has intensified interest in continuum mechanics models that capture size-dependent microstructure interactions. Among these, Consistent Couple-Stress Theory (C-CST) incorporates…

Numerical Analysis · Mathematics 2025-02-05 José Ortiz-Ocampo , Nicolás Guarín-Zapata

The energy dissipation law and the maximum bound principle (MBP) are two important physical features of the well-known Allen-Cahn equation. While some commonly-used first-order time stepping schemes have turned out to preserve…

Numerical Analysis · Mathematics 2022-03-10 Lili Ju , Xiao Li , Zhonghua Qiao

We study modified trigonometric integrators, which generalize the popular class of trigonometric integrators for highly oscillatory Hamiltonian systems by allowing the fast frequencies to be modified. Among all methods of this class, we…

Numerical Analysis · Mathematics 2014-07-18 Robert I. McLachlan , Ari Stern

We explicitly take into account the effect of hydrodynamic expansion profile on the gluonic breakup of $J/\psi$'s produced in an equilibrating parton plasma. Attention is paid to the space-time inhomogeneities as well as Lorentz frames…

High Energy Physics - Phenomenology · Physics 2007-07-10 Binoy K. Patra , V. J. Menon