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LEADER Contents HPC connects in Denver


Robert Roe reports back from SC17 conference Life, the universe, and computing


Robert Roe reports on the SC17 conference keynote GPUs are here to stay


Laboratory informatics An artificial future


Drowning in data


David Wang on providing maximum value in the lab Data lakes and cloud computing


Data needs to be continually enriched and augmented with learnings, writes Paul Denny-Gouldson


Profile: Collaborative Drug Discovery


Sophia Ktori reveals the informatics company’s history – and plans for the future


Modelling and simulation Pushing the envelope


Driving insight Robert Roe looks at advances in automotive simulation


Resources News


l HPC to translate lesser-known languages l Manuscript writer creates scientific abstracts l Nvidia optimises HPC applications


Suppliers’ directory


Editorial and administrative team Editor: Robert Roe robert.roe@europascience.com Managing editor: Tim Gillett editor.scw@europascience.com Specialist reporters: Sophia Ktori, Gemma Church, Paul Denny-Gouldson Design: David Houghton


Advertising team Advertising manager: Mike Nelson mike.nelson@europascience.com +44 (0) 1223 221039 Production manager: David Houghton david.houghton@europascience.com +44 (0) 1223 221034


Corporate team Managing director: Warren Clark


Scientific Computing World is published by Europa Science Ltd, 4 Signet Court, Cambridge, CB5 8LA l ISSN 1744-8026 Tel: +44 (0) 1223 211170 l Fax: +44 (0) 1223 213385 Web: www.researchinformation.info


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Subscriptions:Free registration is available to qualifying individuals. Register online at www.scientific-computing.com Subscriptions £180 a year for six issues to readers outside registration requirements. Single issue £20. Orders to ESL, SCW Circulation, 4 Signet Court, Swann Road, Cambridge, CB5 8LA, UK. Tel: +44 (0)1223 221 030. Fax: +44 (0)1223 213 385. ©2017 Europa Science Ltd.


Whilst every care has been taken in the compilation of this magazine, errors or omissions are not the responsibility of the publishers or of the editorial staff. Opinions expressed are not necessarily those of the publishers or editorial staff. All rights reserved. Unless specifically stated, goods or services mentioned are not formally endorsed by Europa Science Ltd, which does not guarantee or endorse or accept any liability for any goods and/or services featured in this publication.


US copies:Scientific Computing World (ISSN 1356-7853/USPS No 018-753) is published bi-monthly for £180 per year by Europa Science Ltd, and distributed in the USA by DSW, 75 Aberdeen Rd, Emigsville PA 17318-0437. Periodicals postage paid at Emigsville PA. Postmaster: Send address corrections to Scientific Computing World PO Box 437, Emigsville, PA 17318-0437.


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www.scientific-computing.com | @scwmagazine 18 David Yipp provides his take on GPU technology’s place in HPC December 2017/January 2018 l Issue 157


High performance computing Integrating intelligence


Robert Roe Editor


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Robert Roe looks at the role of integrators to deliver and support HPC systems


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10 High-altitude 12


Elsevier’s Jabe Wilson predicts radical changes in the ways AI will be used in scholarly communications


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ambitions In November I attended SC17 – in the Mile High City of Denver, Colorado for the largest US conference and exhibition dedicated to high performance computing. The event showcases an exhibition of the latest HPC technology and services and a comprehensive technical programme covering a mixture of technical papers, research posters, tutorials, workshops dedicated to showcasing the latest research in HPC. On page 7 you can see the first


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Gemma Church wonders if driverless cars and big data are quietly overhauling modelling and simulation


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report covering SC17 which, this year, was based on the theme ‘HPC connects’. This theme was highlighted by SC general chair, Bernd Mohr, as he delivered encouraging words about the importance of HPC before the keynote address which focused on the work and computing behind the Square Kilometre Array (covered on page 8). The SC17 keynote presentation – life, the universe and computing – detailed the immense computing power required by this international scientific project and also the challenges that the researchers hope to address with the data that is collected. In this issue on page 14, we feature


Elsevier’s, Jabe Wilson, who gives us his opinion on the way that AI will be used in scholarly communications. On page 16, IDBS’ Paul Denny-Gouldson sees data lakes and cloud computing as the answer to increasing amount of data collected and analysed by laboratories. On page 18, Sophia Ktori profiles laboratory informatics company CDD and finds that managing the data required for modern drug discovery requires software that can put data at scientists’ fingertips.


@scwmagazine


SCIENTIFIC COMPUTING WORLD


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