Related papers: Variational approximation method for the long-rang…
We present an efficient computational methodology to obtain the viscoelastic response of dilute solutions of semiflexible filaments. By considering an approach based on the fluctuation-dissipation theorem, we were able to evaluate the…
We present a four-field Virtual Element discretization for the time-dependent resistive Magnetohydrodynamics equations in three space dimensions, focusing on the semi-discrete formulation. The proposed method employs general polyhedral…
We propose a new variational Monte Carlo (VMC) method with an energy variance extrapolation for large-scale shell-model calculations. This variational Monte Carlo is a stochastic optimization method with a projected correlated condensed…
We present the construction and application of a first order stabilization-free virtual element method to problems in plane elasticity. Well-posedness and error estimates of the discrete problem are established. The method is assessed on a…
The ability of widely used sampling methods, such as molecular dynamics or Monte Carlo, to explore complex free energy landscapes is severely hampered by the presence of kinetic bottlenecks. A large number of solutions have been proposed to…
We present a general energy approach to study the unsteady adhesive contact of viscoelastic materials. Under the assumption of infinitely short-range adhesive interactions, we exploit the principle of virtual work to generalize Griffith…
We present a simulation scheme for discrete-velocity gases based on {\em local thermodynamic equilibrium}. Exploiting the kinetic nature of discrete-velocity gases, in that context, results in a natural splitting of fluxes, and the…
In this paper we consider the lowest edge-based mimetic finite difference (MFD) discretization in space for Maxwell's equations in cold plasma on rectangular meshes. The method uses a generalized form of mass lumping that, on one hand,…
A compact version of the variation evolving method (VEM) is developed in the primal variable space for optimal control computation. Following the idea that originates from the Lyapunov continuous-time dynamics stability theory in the…
Free energy biasing methods have proven to be powerful tools to accelerate the simulation of important conformational changes of molecules by modifying the sampling measure. However, most of these methods rely on the prior knowledge of…
In this paper, we apply the constraint energy minimizing generalized multiscale finite element method (CEM-GMsFEM) to first solving a nonlinear poroelasticity problem. The arising system consists of a nonlinear pressure equation and a…
The transmission of kinetic energy through chains of inelastically colliding spheres is investigated for the case of constant coefficient of restitution \epsilon=const and impact-velocity dependent coefficient \epsilon(v) for viscoelastic…
A simple model to predict the directionality of vibrational energy flow at molecular level is presented. This model is based on a vibrational energy propagation analysis using ab intio molecular dynamics and the Fukui function and local…
Starting from a generalized elastic model which accounts for the stochastic motion of several physical systems such as membranes, (semi)flexible polymers and fluctuating interfaces among others, we derive the fractional Langevin equation…
We consider a quasistatic nonlinear model in thermoviscoelasticity at a finite-strain setting in the Kelvin-Voigt rheology where both the elastic and viscous stress tensors comply with the principle of frame indifference under rotations.…
The research is important for a molecular theory of liquid and has a wide interest as an example solving the problem when dynamic parameters of systems can be indirectly connected with their equilibrium properties. In frameworks of the…
This work addresses the optimal control of multibody systems being actuated with control forces in order to find a dynamically feasible minimum-energy trajectory of the system. The optimal control problem and its constraints are integrated…
We extend the formulation of position-based rods to include elastic volumetric deformations. We achieve this by introducing an additional degree of freedom per vertex -- isotropic scale (and its velocity). Including scale enriches the space…
This paper deals with a one-dimensional wave equation being subjected to a unilateral boundary condition. An approximation of this problem combining the finite element and mass redistribution methods is proposed. The mass redistribution…
The non-Markovian nature of polymer motions is accounted for in folding kinetics, using frequency-dependent friction. Folding, like many other problems in the physics of disordered systems, involves barrier crossing on a correlated energy…