Zobrazeno 1 - 10
of 359
pro vyhledávání: '"De Fabritiis G"'
Various molecular interaction networks have been claimed to follow power-law decay for their global connectivity distribution. It has been proposed that there may be underlying generative models that explain this heavy-tailed behavior by self-reinfor
Externí odkaz:
http://arxiv.org/abs/1004.3138
The high arithmetic performance and intrinsic parallelism of recent graphical processing units (GPUs) can offer a technological edge for molecular dynamics simulations. ACEMD is a production-class bio-molecular dynamics (MD) simulation program design
Externí odkaz:
http://arxiv.org/abs/0902.0827
We present a hybrid computational method for simulating the dynamics of macromolecules in solution which couples a mesoscale solver for the fluctuating hydrodynamics (FH) equations with molecular dynamics to describe the macromolecule. The two models
Externí odkaz:
http://arxiv.org/abs/cond-mat/0703106
A good representation of mesoscopic fluids is required to combine with molecular simulations at larger length and time scales (De Fabritiis {\it et. al}, Phys. Rev. Lett. 97, 134501 (2006)). However, accurate computational models of the hydrodynamics
Externí odkaz:
http://arxiv.org/abs/physics/0612230
Autor:
De Fabritiis, G.
The new Cell processor represents a turning point for computing intensive applications. Here, I show that for molecular dynamics it is possible to reach an impressive sustained performance in excess of 30 Gflops with a peak of 45 Gflops for the non-b
Externí odkaz:
http://arxiv.org/abs/physics/0611201
The separation between molecular and mesoscopic length and time scales poses a severe limit to molecular simulations of mesoscale phenomena. We describe a hybrid multiscale computational technique which address this problem by keeping the full molecu
Externí odkaz:
http://arxiv.org/abs/physics/0608220
Coupled models are set to become increasingly important in all aspects of science and engineering as tools with which to study complex systems in an integrated manner. Such coupled, hybrid simulations typically communicate data between the component
Externí odkaz:
http://arxiv.org/abs/physics/0605171
In this article we show in details the derivation of an integration scheme for the dissipative particle dynamic model (DPD) using the stochastic Trotter formula [De Fabritiis et al., Physica A, 361, 429 (2006)]. We explain some subtleties due to the
Externí odkaz:
http://arxiv.org/abs/cond-mat/0602523
An energy-biased method to evaluate ensemble averages requiring test-particle insertion is presented. The method is based on biasing the sampling within the subdomains of the test-particle configurational space with energies smaller than a given valu
Externí odkaz:
http://arxiv.org/abs/physics/0506152
Publikováno v:
Physica A 361, 429 (2006)
The efficient simulation of models defined in terms of stochastic differential equations (SDEs) depends critically on an efficient integration scheme. In this article, we investigate under which conditions the integration schemes for general SDEs can
Externí odkaz:
http://arxiv.org/abs/physics/0502064