Related papers: Advanced quasi-steady state approximation for chem…
We present a set of new energy-stable open boundary conditions for tackling the backflow instability in simulations of outflow/open boundary problems for incompressible flows. These boundary conditions are developed through two steps: (i)…
The quasi-steady-state approximation (QSSA) is a standard technique for reducing the complexity of chemical reaction networks (CRNs). The validity of any QSSA-based model is restricted to specific parameter regimes. Selecting the…
We investigate the notion of quasi-invariant states introduced in [2, 3] from an analytic viewpoint.We give the structures of quasi-invariant states with uniformly bounded cocycles. As a consequence, we can apply a Theorem of Kovacs and…
Quantum mechanically, a driving process is expected to be reversible in the quasistatic limit, also known as the adiabatic theorem. This statement stands in opposition to classical mechanics, where a mix of regular and chaotic dynamics…
Classical density-functional theory is employed to study finite-temperature trends in the relative stabilities of one-component quasicrystals interacting via effective metallic pair potentials derived from pseudopotential theory. Comparing…
The idea to describe quantum systems within a hydrodynamic framework (quantum hydrodynamics, QHD) goes back to Madelung and Bohm. While such a description is formally exact for a single particle, more recently the concept has been applied…
Mixtures of quantum fluids, that is gases or liquids, are considered with the emphasis on the conditions characterizing the stability of the mixtures. The mixtures, that can be formed by cold atoms or molecules, are assumed to be quantum…
The quasistatic approximation is a useful but questionable simplification for analyzing step instabilities during the growth/evaporation of vicinal surfaces. Using this approximation, we characterized in Part I of this work the effect on…
Metadynamics is a commonly used and successful enhanced sampling method. By the introduction of a history dependent bias which depends on a restricted number of collective variables(CVs) it can explore complex free energy surfaces…
Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to…
The advent of hybrid computing platforms consisting of quantum processing units integrated with conventional high-performance computing brings new opportunities for algorithm design. By strategically offloading select portions of the…
We develop a quasilinear theory of the Vlasov equation in order to describe the approach of systems with long-range interactions to quasi-stationary states. We derive a diffusion equation governing the evolution of the velocity distribution…
A theoretical description of quantum mechanical steady states is developed. Applications for simple quantum mechanical systems described in terms of coupled level structures yield a formulation equivalent to time independent scattering…
We present the Constructive Methods of Invariant Manifolds for model reduction in physical and chemical kinetics, developed during last two decades. The problem of reduced description is studied as a problem of constructing the slow…
We simulate the Gross-Pitaevskii equation to model the development of turbulence in a quantum fluid confined by a cuboid box potential, and forced by shaking along one axis. We observe the development of isotropic turbulence from…
We present the derivation of second-order relativistic viscous hydrodynamics from an effective Boltzmann equation for a system consisting of quasiparticles of a single species. We consider temperature-dependent masses of the quasiparticles…
Nonequilibrium steady state of isothermal biochemical cycle kinetics has been extensively studied, but much less investigated under non-isothermal conditions. However, once the heat exchange between subsystems is rather slow, the isothermal…
Q-conditional symmetries (nonclassical symmetries) for a general class of two-component reaction-diffusion systems with constant diffusivities are studied. Using the recently introduced notion of Q-conditional symmetries of the first type…
A recently introduced particle-based model for fluid dynamics with continuous velocities is generalized to model fluids with excluded volume effects. This is achieved through the use of biased stochastic multi-particle collisions which…
Numerical simulations of multiphase flows are crucial in numerous engineering applications, but are often limited by the computationally demanding solution of the Navier-Stokes (NS) equations. Here, we present a data-driven workflow where a…