search.noResults

search.searching

note.createNoteMessage

search.noResults

search.searching

orderForm.title

orderForm.productCode
orderForm.description
orderForm.quantity
orderForm.itemPrice
orderForm.price
orderForm.totalPrice
orderForm.deliveryDetails.billingAddress
orderForm.deliveryDetails.deliveryAddress
orderForm.noItems
Issue 146 February/March 2016 CONTENTS


Laboratory informatics Drug development in the virtual world


In her series of profiles of bioinformatics companies, Sophia Ktori looks at the work of biosimulation specialist Certara


Is life different in the cloud?


Sophia Ktori looks at how vendors and customers of informatics systems are having to change their IT culture


Data security in a collaborative environment


Te R&D sector is increasingly turning to collaborative projects to boost innovation, writes Sophia Ktori


Paperless on the Med


An outline of the Paperless Lab Academy, to be held in the city of Barcelona in April High-performance computing


Gazing into the HPC crystal ball


Andrew Jones looks ahead to see what the coming year has in store for HPC


HPC finally climbs into the cloud


Interest in migrating HPC to the cloud is growing rapidly, as Tom Wilkie discovers Applications Simulating a breeze


Gemma Church investigates how simulation soſtware can help with the siting of a wind farm Revving up knowledge


Robert Roe investigates the use of simulation soſtware in the high-octane world of motorbike racing


Product Innovation Congress


A preview of the product lifecycle management event being held in Munich in March Resources Suppliers' directory Viewpoint


EDITORIAL AND ADMINISTRATIVE TEAM Editor-in-chief Dr Tom Wilkie editor.scw@europascience.com


Specialist reporters Robert Roe, Sophia Ktori, Gloria Metrick, Gemma Church Circulation/readership enquiries subscriptions@europascience.com


ADVERTISING TEAM Advertising sales Darren Ebbs Tel: +44 (0)1223 275 465 Fax: +44 (0)1223 213 385 darren.ebbs@europascience.com


38 24 20 16 12 8 4


GOOD NEWS: THE FUTURE IS CLOUDY


Could 2016 be the year in which scientific computing finally takes off into the cloud? In this issue, we publish the second instalment of Sophia Ktori’s report on the role of the cloud in laboratory informatics (page 8) and the first instalment of Tom Wilkie’s exploration of cloud computing in high-performance computing (page 24). In both sectors, the degree of interest when we first announced that we were going to investigate the relevance of the cloud was so great that we have had to split our reporting over more than one issue of the magazine. Less attention has been paid, perhaps, to


modelling and engineering soſtware, but it too is migrating to the cloud. Last year, Ansys offered a cloud service, followed in January 2016 by the French ESI group. Tis issue of the magazine continues the


expansion of our coverage of informatics and of engineering soſtware. In addition to her cloud report, Sophia Ktori looks at the challenges that the trend to outsourcing pose for informatics soſtware on page 12 and on page 4 profiles Certara, the bioinformatics company that has grown significantly over the past few years. Gemma Church looks at wind energy on


30 34


page 30 – in particular, the challenges of efficiently siting a wind farm – while Robert Roe gets on his bike on page 34. On page 20, meanwhile, Andrew Jones,


leader of NAG’s HPC Consulting and Services, offers a preview of what the year will have in store for the topic of high- performance computing. It is inevitable that a new year brings


thoughts of change and of new developments, but in the area of scientific computing, this does not seem forced. Tere is innovation and novelty aplenty – lots to read about, and lots for us to write about. Happy New Year to all!


40 42


Dan Katz argues that science is facing a social challenge to increase the sustainability of soſtware


Production manager Alex Mappledoram Tel: +44 (0)1223 275 471 Fax: +44 (0)1223 213 385 alex.mappledoram@europascience.com


CORPORATE TEAM Chairman Dr Tom Wilkie Managing director Warren Clark Web www.scientific-computing.com


SUBSCRIPTIONS:Free registration is available to qualifying individuals. Register online at www.scientific-computing. com Subscriptions £100 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 211 170. Fax: +44 (0)1223 213 385. ©2016 Europa Science Ltd. Whilst every care has been taken in the compilation of this


www.scientific-computing.com l @scwmagazine


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 £100 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.


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


FEBRUARY/MARCH 2016 3 Tom Wilkie Editor-in-chief


Cover: Alex Mappledoram/Iaroslav Neliubov/ Palm Palmish/Shutterstock.com


Page 1  |  Page 2  |  Page 3  |  Page 4  |  Page 5  |  Page 6  |  Page 7  |  Page 8  |  Page 9  |  Page 10  |  Page 11  |  Page 12  |  Page 13  |  Page 14  |  Page 15  |  Page 16  |  Page 17  |  Page 18  |  Page 19  |  Page 20  |  Page 21  |  Page 22  |  Page 23  |  Page 24  |  Page 25  |  Page 26  |  Page 27  |  Page 28  |  Page 29  |  Page 30  |  Page 31  |  Page 32  |  Page 33  |  Page 34  |  Page 35  |  Page 36  |  Page 37  |  Page 38  |  Page 39  |  Page 40  |  Page 41  |  Page 42  |  Page 43  |  Page 44