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Molecular alchemy

Saving untold hours in the laboratory, molecular modelling software allows researchers to determine how to make useful changes to existing substances or make new ones. Paul Schreier takes a glimpse of the tools and techniques researchers are using to find the molecules that will bring us improved drugs and materials

Making the connection

HPC system architects are increasingly turning to alternative interconnects such as InfiniBand to replace Ethernet in many situations. Paul Schreier examines what is driving this trend

A taste for LIMS

Greg Blackman looks at the role LIMS, as well as data management software as a whole, plays in putting food on our plates

Asking the big questions

Stephen Mounsey finds out about the computing power behind some of the world's most ambitious scientific projects

The future for HPC

Hans Meuer, general chair of ISC'09, on emerging trends in high-performance computing

Computer - reconfigure yourself!

Although they're not simple to program, field-programmable gate arrays can greatly accelerate frequently used functions, and you can reprogram them on the fly to tackle new tasks. Paul Schreier examines the impact they are starting to have on HPC

Far more than petaflops

Thomas Lippert, director of the Jülich Supercomputing Centre at Forschungszentrum Jülich explains how supercomputers of highest scalability and scientific users can be brought closer together by means of a new support instrument: the simulation laboratory

Criminal patterns

Felix Grant finds statistical processes applied to the social sciences, and in particular, to crime

Data pharming

Greg Blackman looks at some of the current trends taking place in the pharmaceutical industry with regards to data management

Modelling rides into the future

As auto manufacturers shift towards entirely new types of vehicles, they face a number of engineering challenges. Paul Schreier looks at how design/simulation software is helping them reach their goals more quickly and efficiently

Drilling for fuel

HPC technology is aiding oil and gas companies locate hidden submarine reserves in a fraction of the time taken by previous methods, as Stephen Mounsey discovers

Saving for the future

Greg Blackman looks at some of the data-management challenges facing biobanks and how these repositories of material are being used to advance life-sciences research

The value of pre-validated LIMS

Aaron M Jones, product manager for LIMS at Applied Biosystems, says the reality of COTS (Commercial Off The Shelf) LIMS systems depends on the level of pre-validation offered by the vendor

Dedicated to science

Dr Peter Beckman directs the Argonne Leadership Computing Facility (ALCF) in providing the computational science community with world-leading computing capability dedicated to breakthrough science and engineering

Crisis management?

With the world of finance in meltdown, relying on HPC solutions to predict the future is vital, as Stephen Mounsey discovers

Beauty is skin deep

Felix Grant assesses the value of data analysis software in the development and use of surface coatings

Athletes go to the max

A variety of software is being used in the science of sports biomechanics to improve athletes' performance in safe ways. Paul Schreier looks at some interesting applications and the resulting improvements

Clusters have open-source roots

When setting up and configuring an HPC cluster, there is a wide variety of choices when it comes to tools: proprietary software from hardware or software vendors, many open source tools, and open source tools with commercial support. Paul Schreier provides a quick overview of the major players and their offerings

Illuminating optics

Paul Schreier reviews a sample of the applications and breakthrough products that advanced optics software have made possible

Driven by science

Professor Marek Niezgódka, Director of the ICM Centre at the University of Warsaw, explains why the centre heads the Green Top500 list and concentrates on open systems

A supercomputer chip for every man

While GPUs (graphics processing units) were initially designed to accelerate video and gaming, vendors of science and engineering software are using them to accelerate their code. Paul Schreier looks at the benefits for today and tomorrow

Criminal investigations

The increase in automation in forensic science in the last few years has led to a requirement for data management systems. Greg Blackman looks at the importance of LIMS in forensic laboratories

Weathering well

Gemma Church finds out how scientists are using HPC to predict climate and weather more accurately and efficiently

The human touch

Computing applied to the earth sciences will save human lives, according to Felix Grant

An energy crisis in HPC

Green computing is becoming important for HPC, not only for reasons of energy conservation and cost reduction, but also because data centres are reaching the limits of power available to them. Paul Schreier examines steps being taken to cut HPC power requirements

Driving NASA missions

Rupak Biswas, chief of NASA's Advanced Supercomputing Division, explains the challenges he faces running one of the most high-profile establishments in the world

Racing ahead

Gemma Church takes a look at how HPC technology is assisting F1 teams at the cutting edge of the sport

The sound of software

Paul Schreier explores how scientific software has allowed some remarkable advances in the area of acoustics, which in turn have led to some very innovative products

Responsibilities beyond technology

In the first of our new regular features on HPC directors, Stephen Winter, Dean of Informatics at the University of Westminster, explains how his role is as much about advocacy and marketing as it is about choosing and managing the technology.

Leading northern lights

Gemma Church looks at the range of HPC centres and projects undertaken in northern Europe, covering Scandinavia, Benelux and the Nordic Countries

A clean bill of health

Environmental studies often involve handling large data sets. Greg Blackman looks at some of the environmental monitoring applications using data management systems

Down-to-earth modelling

Increasing computer power and new software is making it possible to explore more areas of geological activity in so far unknown detail. Paul Schreier looks at some interesting examples

Pharma chameleons

Greg Blackman on the versatility of LIMS, ELNs and other data management solutions in the pharmaceutical industry

A universe of data

Paul Schreier visits CERN to learn about the computing resources needed for the world's largest ever scientific experiment

Turbocharging CFD

Paul Schreier examines how CFD software suppliers are customising their products to meet the needs of specific industries - in this case, for turbomachinery engineers

Biosample storage

Paul Schreier examines which functions are being added to LIMS to make them suitable for biobanking and points to several reference projects.

New dimensions in printing

3D printers are becoming more affordable and are breaking into new application areas. However, as Paul Schreier reports, were not yet at the point where files are as easy to print as with document printers - software for fixing and preparing files for rapid prototyping is still required

HPC for the desktop

Gemma Simpson looks at how software and hardware vendors are creating desktop HPC solutions specifically for scientists

The man who built ISC

John Murphy meets Hans Meuer, who has been involved with the International Supercomputing Conference in Germany since it began.

A career in HPC

Do you have a zest for problem solving and a passion for science? David Robson finds out why work as a high-performance computing consultant may be the ideal job for you

Virtual bodies

Paul Schreier examines progress towards accurate models built on the systems biology approach

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