We implemented the elastic lattice polymer model on the GPU (Graphics Processing Unit), and show that the GPU is very efficient for polymer simulations of dense polymer melts. The implementation is able to perform up to 4.1⋅109 Monte Carlo moves per second. Compared to our standard CPU implementation, we find an effective speed-up of a factor 92. Using this GPU implementation we studied the equilibrium properties and the dynamics of non-concatenated ring polymers in a melt of such polymers, using Rouse modes. With increasing polymer length, we found a very slow transition to compactness with a growth exponent ν≈1/3 . Numerically we find that the longest internal time scale of the polymer scales as N3.1 , with N the molecular weight of the r...
Abnormally slower diffusional processes than its internal structure relaxation have been observed in...
In this dissertation, the effects of topological constraints and interface on the conformations and ...
Soft materials are a highly demanded class of research for predicting the characteristics of phase s...
We implemented the elastic lattice polymer model on the GPU (Graphics Processing Unit), and show tha...
AbstractWe investigate new programming techniques for parallel tempering Monte Carlo simulations of ...
We discuss the advantages of parallelization by multithreading on graphics processing units (GPUs) f...
Molecular dynamics (MD) simulation is a powerful computational tool to study the behaviour of macrom...
Many systems of academic and industrial interest are examples of soft condensed matter: they exhibit...
Large scale molecular dynamics simulations were carried out to study the kinetics of polymer melt cr...
Abstract: Lattice spin models are useful for studying critical phenomena and allow the extraction of...
We employ microsecond atomic-scale molecular dynamics simulations to get insight into the structural...
Polymer crystal melting kinetics is simulated by using molecular dynamics. A simplified molecular mo...
A comparative simulation study of polymer brushes formed by grafting at a planar surface either flex...
We review recent results from computer simulation studies of polymer glasses, from the chain dynamic...
Modern graphics processing units (GPUs) provide impressive computing resources, which can be accesse...
Abnormally slower diffusional processes than its internal structure relaxation have been observed in...
In this dissertation, the effects of topological constraints and interface on the conformations and ...
Soft materials are a highly demanded class of research for predicting the characteristics of phase s...
We implemented the elastic lattice polymer model on the GPU (Graphics Processing Unit), and show tha...
AbstractWe investigate new programming techniques for parallel tempering Monte Carlo simulations of ...
We discuss the advantages of parallelization by multithreading on graphics processing units (GPUs) f...
Molecular dynamics (MD) simulation is a powerful computational tool to study the behaviour of macrom...
Many systems of academic and industrial interest are examples of soft condensed matter: they exhibit...
Large scale molecular dynamics simulations were carried out to study the kinetics of polymer melt cr...
Abstract: Lattice spin models are useful for studying critical phenomena and allow the extraction of...
We employ microsecond atomic-scale molecular dynamics simulations to get insight into the structural...
Polymer crystal melting kinetics is simulated by using molecular dynamics. A simplified molecular mo...
A comparative simulation study of polymer brushes formed by grafting at a planar surface either flex...
We review recent results from computer simulation studies of polymer glasses, from the chain dynamic...
Modern graphics processing units (GPUs) provide impressive computing resources, which can be accesse...
Abnormally slower diffusional processes than its internal structure relaxation have been observed in...
In this dissertation, the effects of topological constraints and interface on the conformations and ...
Soft materials are a highly demanded class of research for predicting the characteristics of phase s...