Related papers: Simple Dynamics for Broad Histogram Method
We present the molecular hyperdynamics algorithm and its implementation to the nonorthogonal tight-binding model NTBM and the corresponding software. Due to its multiscale structure, the proposed approach provides the long time scale…
The paper gives an overview of the particle dynamics in synchrotrons and storage rings. Both, transverse as well as the longitudinal plane are described in linear approximation. The main emphasis is to give an introduction into the basic…
In this paper, we present a novel general framework grounded in the factor graph theory to solve kinematic and dynamic problems for multi-body systems. Although the motion of multi-body systems is considered to be a well-studied problem and…
The main aim of the present paper is to raise the doubt that vakonomic dynamics may not be satisfactory as a model for velocity dependent constraints.
A multicanonical formalism is introduced to describe statistical equilibrium of complex systems exhibiting a hierarchy of time and length scales, where the hierarchical structure is described as a set of nested "internal heat reservoirs"…
Understanding protein dynamics are essential for deciphering protein functional mechanisms and developing molecular therapies. However, the complex high-dimensional dynamics and interatomic interactions of biological processes pose…
Uniform bin width histograms are widely used so this data graphic should represent data as correctly as possible. Method of moments based on familiar mean, variance and Fisher-Pearson skewness cure this problem.
Enhanced sampling algorithms have emerged as powerful methods to extend the utility of molecular dynamics simulations and allow the sampling of larger portions of the configuration space of complex systems in a given amount of simulation…
With this contribution, we give a complete and comprehensive framework for modeling the dynamics of complex mechanical structures as port-Hamiltonian systems. This is motivated by research on the potential of lightweight construction using…
We consider the time evolution of a one dimensional $n$-gradient continuum. Our aim is to construct and analyze discrete approximations in terms of physically realizable mechanical systems, called microscopic because they are living on a…
This work is motivated by learning the individualized minimal clinically important difference, a vital concept to assess clinical importance in various biomedical studies. We formulate the scientific question into a high-dimensional…
Determining if two histograms are consistent, whether they have been drawn from the same underlying distribution or not, is a common problem in physics. Existing approaches are not only limited in power but also inapplicable to histograms…
Multibody systems usually give rise to complex nonlinear dynamics, and the bicycle is not an exception. Even a simple model as the Two-Mass-Skate presents a long expression of the kinetic energy, making difficult to write explicitly the…
Monte Carlo (MC) simulations of many systems, in particular those with conflicting constraints, can be considerably speeded up by using multicanonical or related methods. Some of these approaches sample with a-priori unknown weight factors.…
The histogram is widely used as a simple, exploratory display of data, but it is usually not clear how to choose the number and size of bins. We construct a confidence set of distribution functions that optimally address the two main tasks…
This paper addresses questions regarding controllability for `generic parameter' dynamical systems, i.e. the question whether a dynamical system is `structurally controllable'. Unlike conventional methods that deal with structural…
This paper presents a unified approach for inverse and direct dynamics of constrained multibody systems that can serve as a basis for analysis, simulation, and control. The main advantage of the formulation of the dynamic is that it does…
This paper introduces coordinate-independent methods for analysing multiscale dynamical systems using numerical techniques based on the transfer operator and its adjoint. In particular, we present a method for testing whether an arbitrary…
Consider briefly the equations of fluid dynamics-they describe the enormous wealth of detail in all the interacting physical elements of a fluid flow-whereas in applications we want to deal with a description of just that which is…
A method is presented that reduces the number of terms of systems of linear equations (algebraic, ordinary and partial differential equations). As a byproduct these systems have a tendency to become partially decoupled and are more likely…