Modelling

Photo by engin akyurt on Unsplash

The Royal Society has issued an urgent call for modellers: "Rapid Assist

By Dr Robyn Grant, Lecturer in Comparative Physiology and Behaviour at Manchester Metropolitan University.

In the neurosciences, we produce tons of data, in many different forms – images, electrophysiology and video, to name but a few. If we are really going to work together to answer big picture questions about the brain, then the different data types really need to start interacting and building on information from each other. I understand this, however, it is quite complex in practice, and begs questions in how best to specify data types, annotations and formats to make…

By Mike Jackson, Software Architect.

Clever theory about how to estimate the density or abundance of wildlife is of limited value unless this theory can be readily exploited and applied by biologists and conservationists. Distance sampling is a widely-used methodology for estimating animal density or abundance and the Distance project provides software, Distance, for the design and analysis of distance sampling surveys of wildlife populations. Distance is used by biologists, students, and decision makers to better understand animal populations without the need for these…

Reducing the time between developing good theory, and published papers, and delivering usable code into the hands of investigators.

By Weronika Filinger, Application Developer at EPCC.

Do you use scientific codes in your research? In this article I will describe briefly the process I have undertaken to optimise the parallel performance of a computational chemistry package – TINKER, as part of the EPCC/SSI APES project.

TINKER can be used to perform molecular modelling and molecular dynamics simulations. Originally written in Fortran 77 and currently in the process of being ported to Fortran 90, it has already been parallelised for a shared memory environment using OpenMP. The code does not…

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