AceCloud: Molecular Dynamics Simulations in the Cloud
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Accepted version
Author(s)
Harvey, MJ
De Fabritiis, G
Type
Journal Article
Abstract
We present AceCloud, an on-demand service for molecular dynamics simulations. AceCloud is designed to facilitate the secure execution of large ensembles of simulations on an external cloud computing service (currently Amazon Web Services). The AceCloud client, integrated into the ACEMD molecular dynamics package, provides an easy-to-use interface that abstracts all aspects of interaction with the cloud services. This gives the user the experience that all simulations are running on their local machine, minimizing the learning curve typically associated with the transition to using high performance computing services.
Date Issued
2015-04-17
Date Acceptance
2015-04-07
Citation
Journal of Chemical Information and Modeling, 2015, 55 (5), pp.909-914
ISSN
1549-960X
Publisher
American Chemical Society
Start Page
909
End Page
914
Journal / Book Title
Journal of Chemical Information and Modeling
Volume
55
Issue
5
Copyright Statement
This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Chemical Information and Modeling, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00086
Publication Status
Published