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LEADER Contents AI drives new science


Healthcare and medicinal research is being accelerated through the use of federated learning, finds Robert Roe


Tech focus: servers


New server technologies provide faster and more dense computing hardware to accelerate HPC systems


Identifying cancer


Advances in computer vision combined with AI computing are helping pathologists to more accurately identify subtypes of cancer


Laboratory informatics LIMS adapt to viral testing


Response to Covid-19 is helping to develop testing technology that will have far-reaching benefits beyond the global viral outbreak, finds Robert Roe


Software at the heart of drug development


Sophia Ktori explores software that is used to develop and improve the efficacy of potential drugs used to fight Covid-19.


Increasing the flow


Sophia Ktori discusses the combination of drug discovery and cloud computing to rapidly select new candidate molecules


Modelling and simulation Designing the Future


Resources News


A round-up of 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


24 20 14 10 Summer 2020 l Issue 172


Robert Roe Editor


High performance computing Tech focus: storage


Robert Roe takes a look at the the development of storage systems and their impact on science


7 4 A-grade response


Inevitably the focus of this month’s coverage is driven largely by Covid-19 and the response by the scientific community is using its resources and expertise to accelerate research on this virus. The response has been incredible. There have been many stories of scientists and researchers working to better understand, test and treat this viral outbreak. Organisations have given away resources and intellectual property to help with the effort. On page 4 our HPC coverage begins


16


with a technology focus, looking at the latest developments in storage. This feature looks at the increasingly important role that storage plays in science and research speed due to increasing datasets of large-scale scientific simulations. On page 10 we have another


28


Gemma Church investigates how modelling and simulation tools are used to design new components and systems


32 34


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. ©2020 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: Angelina Bambina/Shutterstock.com


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www.scientific-computing.com | @scwmagazine


technology focus, looking at server technologies and the developments that are helping to produce faster, more dense computing systems for researchers. On page 12 there is an interview looking at the use of cloud computing and neural networks in the diagnosis of cancer. This article highlights some of the groundwork being done in this field. Laboratory informatics coverage starts on page 15 with a feature looking at the role LIMS providers play in developing software solutions to help assist in the testing and sample management of Covid-19. Viral research is the focus of the feature on page 20. Sophia Ktori explores software that is used to develop and improve the efficacy of potential drugs used to fight Covid-19. There is another article from Sophia Ktori on page 23, which focuses on the combination of drug discovery and cloud computing to rapidly select new candidate molecules in the fight against the virus. On page 25 Gemma Church reports on the use of design tools to make simulation more effective. With increasing product complexity, companies are using collaboration between design, engineering and manufacturing to bring products to market faster.


@scwmagazine Summer 2020 Scientific Computing World 3


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