121 citations · 173 across the 4 of their papers we have counts for
7 papers
ACEMD: Accelerating bio-molecular dynamics in the microsecond time-scale
M. J. Harvey, G. Giupponi, G. De Fabritiis
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…
Performance of the Cell processor for biomolecular simulations
G. De Fabritiis
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 per…
Multiscale modelling of liquids with molecular specificity
G. De Fabritiis, R. Delgado-Buscalioni, P. V. Coveney
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 computa…
Coupled applications on distributed resources
P. V. Coveney, G. De Fabritiis, M. J. Harvey +2
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…
Determination of the chemical potential using energy-biased sampling
R. Delgado-Buscalioni, G. De Fabritiis, P. V. Coveney
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-…
On size and growth of business firms
G. De Fabritiis, F. Pammolli, M. Riccaboni
We study size and growth distributions of products and business firms in the context of a given industry. Firm size growth is analyzed in terms of two basic mechanisms, i.e. the in…