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LEADER Contents Tech focus: Storage


A round-up of the latest storage tools to support scientists using HPC in their research


Tech focus: Cooling


A round-up of the latest cooling technologies available to scientists and researchers using HPC


Emerging AI


With the growth of AI and DL come new opportunities for emerging applications, finds Robert Roe


Laboratory informatics Integrating the modern laboratory


Sophia Ktori continues the discussion on software integration in the laboratory


UK drives genomics research Streamlining drug discovery


Robert Roe explores the services and software available to support organisations’ drug discovery research


3D heart scans to speed up diagnosis on the NHS Lack of FAIR data slows life science innovation


Modelling and simulation Weathering the Storm


Resources News


The latest news stories in scientific computing 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 Design: David Houghton, Zöe Andrews Partnership & events executive: Charlie Mitchell charlie.mitchell@europascience.com


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


28


The UK National Health Service (NHS) aims to accelerate the diagnosis of heart disease using 3D imaging technology and deep learning


30


Siloed research data has a huge impact on the life sciences organisations’ impact, which negatively affects scientific innovation


20


Robert Roe takes a look at the genomics research uncovering new insights into Covid-19 and paving the way to better treatments to cancer and rare diseases


24 13 10 Spring 2021 l Issue 175


Robert Roe Editor


High performance computing HPC training


Robert Roe takes a look at training and skills development opportunities for scientists using HPC


8 4 Feel the power 17


In this issue of Scientific Computing World there are several pieces focused on the ways that scientists are benefitting from technologies enabled by the increasing availability of powerful computing platforms – from drug discovery to genomics, weather simulation and even deep learning in hospitals. While advanced computing is typical in high performance computing, there are growing numbers of scientists that need to use supercomputing resources and so training and skills development is the focus of the first feature in this issue, found on page 4. Next are the two tech focus articles on page 8 and 10 respectively. These articles take a broad look at the technologies available for HPC users in both storage and cooling. Page 17 kicks off the laboratory


informatics content for this issue with the second part of Sophia Ktori’s feature on software integration. On page 20, there is an article exploring the use of genomics and software that can help researchers make better use of their research data. The focus switches to drug


32


Gemma Church finds out how simulation and modelling is unlocking long- term, accurate weather and climate predictions


35 38


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. ©2021 Europa Science Ltd.


While 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.


Cover: Zenobillis/Shutterstock.com


Subscribe for free at www.scientific-computing.com/subscribe


www.scientific-computing.com | @scwmagazine Spring 2021 Scientific Computing World 3


discovery on page 24 and the use of outsourcing and managed services to deliver efficiency and performance increases in both software and hardware. On page 28 is a story detailing the UK National Health Service (NHS) rollout of a deep learning-powered 3-D imaging technology to diagnose and treat patients with suspected heart disease. Page 30 takes a look at FAIR research and the importance it has on life science innovation. Gemma Church takes a look at


weather simulation on page 32. Detailing how simulation and modelling is helping researchers unlock long- term, accurate weather and climate predictions.


@scwmagazine


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