Related papers: NVU dynamics. I. Geodesic motion on the constant-p…
This paper presents computationally feasible rank-one relaxation algorithms for the efficient simulation of a time-incremental damage model with nonconvex incremental stress potentials in multiple spatial dimensions. While the standard…
This paper considers the network flow stabilization problem in power systems and adopts an output regulation viewpoint. Building upon the structure of a heterogeneous port-Hamiltonian model, we integrate network aspects and develop a…
A strengthened canonical quantization scheme for the constrained motion on a curved hypersurface is proposed with introduction of the second category of fundamental commutation relations between Hamiltonian and positions/momenta, whereas…
Multiscale and inhomogeneous molecular systems are challenging topics in the field of molecular simulation. In particular, modeling biological systems in the context of multiscale simulations and exploring material properties are driving a…
The Kelvin-Helmholtz instability serves as a simple, well-defined setup for assessing the accuracy of different numerical methods for solving the equations of hydrodynamics. We use it to extend our previous analysis of the convergence and…
The efficient simulation of quantum dynamics and ground states is a central challenge in physics and a key frontier for quantum advantage. While short-time evolution in one-dimensional systems can often be simulated classically, extending…
We propose several linear, fully decoupled numerical schemes with first- and second-order temporal accuracy for a novel Q-tensor-based two-phase hydrodynamic model describing the coupling of active nematic liquid crystal solutions with…
Simulation is a powerful tool to better understand physical systems, but generally requires computationally expensive numerical methods. Downstream applications of such simulations can become computationally infeasible if they require many…
In this paper we clarify and generalise previous work by Moser and Belbruno concerning the link between the motions in the classical Kepler problem and geodesic motion on spaces of constant curvature. Both problems can be formulated as…
We study the simulated annealing algorithm based on the kinetic Langevin dynamics, in order to find the global minimum of a non-convex potential function. For both the continuous time formulation and a discrete time analogue, we obtain the…
Motivated by variational models in continuum mechanics, we introduce a novel algorithm to perform nonsmooth and nonconvex minimizations with linear constraints in Euclidean spaces. We show how this algorithm is actually a natural…
We present a set of second-order, time-reversible algorithms for the isothermal (NVT) molecular-dynamics (MD) simulation of systems with mixed hard-core/continuous potentials. The methods are generated by combining real-time Nose'…
Nucleation in supersaturated vapor is investigated with two series of molecular dynamics simulations in the canonical ensemble. The applied methods are: (a) analysis of critical nuclei at moderate supersaturations by simulating equilibria…
This study presents two different machine learning approaches for the modeling of hydrodynamic force on particles in a particle-laden multiphase flow. Results from particle-resolved direct numerical simulations (PR-DNS) of flow over a…
A noisy stabilized Kuramoto-Sivashinsky equation is analyzed by stochastic decomposition. For values of control parameter for which periodic stationary patterns exist, the dynamics can be decomposed into diffusive and transverse parts which…
A systematic comparison was carried out to assess the influence of representative thermostat methods in constant-temperature molecular dynamics simulations. The thermostat schemes considered include the Nos\'e--Hoover thermostat and its…
We explore the conditions required for isolated vortices to exist in sheared zonal flows and the stability of the underlying zonal winds. This is done using the standard 2-layer quasigeostrophic model with the lower layer depth becoming…
A dynamical system is defined in terms of the gradient of a payoff function. Dynamical variables are of two types, ascent and descent. The ascent variables move in the direction of the gradient, while the descent variables move in the…
We propose a novel Skew Gradient Embedding (SGE) framework for systematically reformulating thermodynamically consistent partial differential equation (PDE) models-capturing both reversible and irreversible processes-as generalized gradient…
This paper addresses the problem of robust stabilization for linear hyperbolic Partial Differential Equations (PDEs) with Markov-jumping parameter uncertainty. We consider a 2 x 2 heterogeneous hyperbolic PDE and propose a control law using…