Add to ORKGThe description of the symplectic multi-step algorithm for integration of the equations of motion will be given. Symplecticity guarantee the time reversibility, and stability of the algorithm. Mathematical formalism of this approach will be presented, involving Liouville operator, Hamilton formulation of the problem and equations of motion. The application of this kind of algorithms is possible if the separation of slow and fast varying forces can be made in the system. Thus the UNRES force eld will be outlined and the method of separation will be discussed. Finally the resulting speed up of calculation and stability of total energy in micro-canonical ensemble will be demonstrated
This paper describes some general techniques available for symplectic or Lie-Poisson integration and...
In order to perform numerical studies of long-term stability in nonlinear Hamiltonian systems, one n...
Many numerical integrators for mechanical system simulation are created by using discrete algorithms...
We review recently developed decomposition algorithms for molecular dynamics and spin dynamics simul...
Many force–gradient explicit symplectic integration algorithms have been designed for the Hamiltonia...
The method of molecular dynamics (MD) is a powerful tool for the prediction and investigation of var...
Symplectic methods for Hamiltonian systems are known to have favourable pro-per-ties concerning long...
The so-called structure-preserving methods which reproduce the fundamental properties like symplecti...
Abstract: Symplectic integration methods based on operator splitting are well established in many br...
We present a new symplectic algorithm that has the desirable properties of the sophisticated but hig...
In these lectures I will describe numerical techniques for integrating equations of motion that comm...
Submitted to SIAM Journal of Scientific ComputingIn this paper we propose a new parareal algorithm f...
Numerical methods that preserve properties of Hamiltonian systems, reversible systems, differential ...
We present a multiscale integrator for Hamiltonian systems with slowly varying quadratic stiff poten...
A method of choice for the long-time integration of constrained Hamiltonian systems is the Rattle al...
This paper describes some general techniques available for symplectic or Lie-Poisson integration and...
In order to perform numerical studies of long-term stability in nonlinear Hamiltonian systems, one n...
Many numerical integrators for mechanical system simulation are created by using discrete algorithms...
We review recently developed decomposition algorithms for molecular dynamics and spin dynamics simul...
Many force–gradient explicit symplectic integration algorithms have been designed for the Hamiltonia...
The method of molecular dynamics (MD) is a powerful tool for the prediction and investigation of var...
Symplectic methods for Hamiltonian systems are known to have favourable pro-per-ties concerning long...
The so-called structure-preserving methods which reproduce the fundamental properties like symplecti...
Abstract: Symplectic integration methods based on operator splitting are well established in many br...
We present a new symplectic algorithm that has the desirable properties of the sophisticated but hig...
In these lectures I will describe numerical techniques for integrating equations of motion that comm...
Submitted to SIAM Journal of Scientific ComputingIn this paper we propose a new parareal algorithm f...
Numerical methods that preserve properties of Hamiltonian systems, reversible systems, differential ...
We present a multiscale integrator for Hamiltonian systems with slowly varying quadratic stiff poten...
A method of choice for the long-time integration of constrained Hamiltonian systems is the Rattle al...
This paper describes some general techniques available for symplectic or Lie-Poisson integration and...
In order to perform numerical studies of long-term stability in nonlinear Hamiltonian systems, one n...
Many numerical integrators for mechanical system simulation are created by using discrete algorithms...