Related papers: From molecular dynamics to kinetic models: data-dr…
In many astrophysical plasmas, the Coulomb collision is insufficient to maintain an isotropic temperature, and the system is driven to the anisotropic regime. In this case, magnetohydrodynamic (MHD) models with anisotropic pressure are…
Applying gyrokinetic simulations for theoretical turbulence and transport studies to the plasma edge and scrape-off layer (SOL) presents significant challenges. To in particular account for steep density and temperature gradients in the…
We present a simple and efficient method to simulate three-dimensional, complex-shaped, interacting bodies. The particle shape is represented by Minkowski operators. A time-continuous interaction between these bodies is derived using simple…
Under the low density and high temperature conditions typical of heliospheric plasmas, the macroscopic evolution of the heliosphere is strongly affected by the kinetic plasma physics governing fundamental microphysical mechanisms. Kinetic…
In this paper, using Riemann-Lagrange geometrical methods, we construct a geometrical model on 1-jet spaces for the study of multi-time relativistic magnetized non-viscous plasma, characterized by a given energy-stress-momentum…
We present the Multi-Particle-Collision (MPC) dynamics approach to simulate properties of low-dimensional systems. In particular, we illustrate the method for a simple model: a one-dimensional gas of point particles interacting through…
Turbulence and kinetic processes in magnetized space plasmas have been extensively investigated over the past decades via \emph{in-situ} spacecraft measurements, theoretical models and numerical simulations. In particular, multi-point…
Reaction rate equations are ordinary differential equations that are frequently used to describe deterministic chemical kinetics at the macroscopic scale. At the microscopic scale, the chemical kinetics is stochastic and can be captured by…
The increasing number of protein-based metamaterials demands reliable and efficient theoretical and computational methods to study the physicochemical properties they may display. In this regard, we develop a simulation strategy based on…
Diffuse accretion flows near a supermassive black hole are fundamentally weakly collisional. In such weakly collisional plasmas, the ion and electron distribution functions can deviate significantly from thermal equilibrium, and particle…
In this paper we present a spectral collocation method for the fast evaluation of the Landau collision operator for plasma physics, which allows us to obtain spectrally accurate numerical solutions. The method is inspired by the seminal…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
In this paper, we develop a multiscale hierarchy framework for objective molecular dynamics (OMD), a reduced order molecular dynamics with a certain symmetry, that connects it to the statistical kinetic equation, and the macroscopic…
We review integrated dynamical approaches to describe heavy ion reaction as a whole at ultrarelativistic energies. Since final observables result from all the history of the reaction, it is important to describe all the stages of the…
n this work, we propose a latent molecular diffusion model that can make the generated 3D molecules rich in diversity and maintain rich geometric features. The model captures the information of the forces and local constraints between atoms…
This work presents a multidisciplinary mathematical model, as a set of coupled governing equations and auxiliary relations describing the fluid-flow, thermal, and electric fields of partially-ionized plasma with low magnetic Reynolds…
The motion of a collisionless plasma - a high-temperature, low-density, ionized gas - is described by the Vlasov-Maxwell (VM) system. These equations are considered in one space dimension and two momentum dimensions without the assumption…
We present a unified framework for the data-driven construction of stochastic reduced models with state-dependent memory for high-dimensional Hamiltonian systems. The method addresses two key challenges: (\rmnum{1}) accurately modeling…
A model for ionization and recombination collisions in a multifluid plasma is formulated using the framework introduced in previous work [{Phys. Plasmas} \textbf{22}, 093512 (2015)]. The exchange source terms for density, momentum and…
While recent advances in AI have transformed protein structure prediction, protein function is also strongly influenced by the thermodynamic and kinetic features encoded in its underlying free-energy surface. Here, we propose a…