Related papers: Practical Effects of Integrating Temperature with …
We develop a new simulation technique based on path-integral molecular dynamics for calculating ground-state tunneling splitting patterns from ratios of symmetrized partition functions. In particular, molecular systems are rigorously…
We study the coupling of hydrodynamics and reactions in simulations of the double detonation model for Type Ia supernovae. When assessing the convergence of simulations, the focus is usually on spatial resolution; however, the method of…
A rigorous convergence analysis of the Strang splitting algorithm for Vlasov-type equations in the setting of abstract evolution equations is provided. It is shown that under suitable assumptions the convergence is of second order in the…
Approximate solutions of the Fisher equation obtained by different splitting methods are investigated. The error of this nonlinear problem is analyzed. The order of different splitting methods coupled with numerical methods of different…
In this paper, we offer a comparison in terms of computational efficiency between two techniques to avoid order reduction when using Strang method to integrate nonlinear initial boundary value problems with time-dependent boundary…
The simulation of rare events is one of the key problems in atomistic simulations. Towards its solution a plethora of methods have been proposed. Here we combine two such methods metadynamics and inte-grated tempering sampling. In…
The linear response to temperature changes is derived for systems with overdamped stochastic dynamics. Holding both in transient and steady state conditions, the results allow to compute nonequilibrium thermal susceptibilities from…
Langevin integrators based on operator splitting are widely used in molecular dynamics. This work examines Langevin splitting schemes from the perspective of their internal trajectories and observation points, complementing existing…
Collisions of main sequence stars occur frequently in dense star clusters. In open and globular clusters, these collisions produce merger remnants that may be observed as blue stragglers. Detailed theoretical models of this process require…
The partition function by means of the static path approximation (SPA) plus the random-phase approximation (RPA) treatment can be written as a contour integral form without solving the RPA equations for a separable interaction. This method…
This work proposes and analyzes an efficient numerical method for solving the nonlinear Schr\"odinger equation with quasiperiodic potential, where the projection method is applied in space to account for the quasiperiodic structure and the…
A new approach for integration of motion in many-body systems of interacting polyatomic molecules is proposed. It is based on splitting time propagation of pseudo-variables in a modified phase space, while the real translational and…
How energy is converted into thermal energy in weakly collisional and collisionless plasma processes such as magnetic reconnection and plasma turbulence has recently been the subject of intense scrutiny. The pressure-strain interaction has…
Rapid processes of heat transfer are not described by the standard heat conduction equation. To take into account a finite velocity of heat transfer, we use the hyperbolic model of heat conduction, which is connected with the relaxation of…
We present a method for constructing numerical schemes with up to 3rd strong convergence order for solution of a class of stochastic differential equations, including equations of the Langevin type. The construction proceeds in two stages.…
We use a combination of perturbation theory and numerical techniques to study the equilibration of two interacting fields which are initially at thermal equilibrium at different temperatures. Using standard rules of quantum field theory, we…
We propose a splitting approach to solve the second-order Hamilton--Jacobi equation, reducing it to a heat step and a purely first-order step. The latter is implemented using a gradient value policy iteration algorithm, enabling efficient…
Simulated tempering (ST) has attracted a great deal of attention in the last years, due to its capability to allow systems with complex dynamics to escape from regions separated by large entropic barriers. However its performance is…
We consider viscous, heat conducting mixtures of molecularly miscible chemical species forming a fluid in which the constituents can undergo chemical reactions. Assuming a common temperature for all components, we derive a closed system of…
We apply the thermal (imaginary time) perturbative expansion to the relevant effective field theory to compute characteristics of the phase transition to the ordered state which can occur at low temperatures in the gas of (nonrelativistic)…