eprintid: 1503394
rev_number: 35
eprint_status: archive
userid: 608
dir: disk0/01/50/33/94
datestamp: 2016-07-07 15:34:34
lastmod: 2021-09-19 23:49:57
status_changed: 2016-07-07 15:34:34
type: article
metadata_visibility: show
creators_name: Groen, D
creators_name: Bhati, A
creators_name: Suter, JJ
creators_name: Hetherington, J
creators_name: Zasada, SJ
creators_name: Coveney, PV
title: FabSim: facilitating computational research through automation on large-scale and distributed e-infrastructures
ispublished: pub
divisions: UCL
divisions: B04
divisions: C06
divisions: F56
note: © 2016 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/).
abstract: We present FabSim, a toolkit developed to simplify a range of computational tasks for researchers in diverse disciplines. FabSim is flexible, adaptable, and allows users to perform a wide range of tasks with ease. It also provides a systematic way to automate the use of resources, including HPC and distributed machines, and to make tasks easier to repeat by recording contextual information. To demonstrate this, we present three use cases where FabSim has enhanced our research productivity. These include simulating cerebrovascular bloodflow, modelling clay-polymer nanocomposites across multiple scales, and calculating ligand–protein binding affinities.
date: 2015-05-30
date_type: published
official_url: http://dx.doi.org/10.1016/j.cpc.2016.05.020
oa_status: green
full_text_type: pub
language: eng
primo: open
primo_central: open_green
verified: verified_manual
elements_id: 1093636
doi: 10.1016/j.cpc.2016.05.020
lyricists_name: Bhati, Agastya
lyricists_name: Coveney, Peter
lyricists_name: Hetherington, James
lyricists_name: Suter, James
lyricists_id: APABH78
lyricists_id: PCOVE58
lyricists_id: JHETH53
lyricists_id: JSUTE05
actors_name: Barczynska, Patrycja
actors_id: PBARC91
actors_role: owner
full_text_status: public
publication: Computer Physics Communications
citation:        Groen, D;    Bhati, A;    Suter, JJ;    Hetherington, J;    Zasada, SJ;    Coveney, PV;      (2015)    FabSim: facilitating computational research through automation on large-scale and distributed e-infrastructures.                   Computer Physics Communications        10.1016/j.cpc.2016.05.020 <https://doi.org/10.1016/j.cpc.2016.05.020>.       Green open access   
 
document_url: https://discovery.ucl.ac.uk/id/eprint/1503394/1/1-s2.0-S0010465516301448-main.pdf