The CCS is concerned with many aspects of theoretical and computational science, from chemistry and physics to materials, life and biomedical sciences as well as informatics. We explore these domains through high performance, data intensive, supercomputing and distributed (grid/cloud) computing.
Our different computational techniques span time and length-scales from the macro-, through the meso- and to the nano- and microscales. We are committed to studying new approaches and techniques that bridge these scales.
Following on from Prof Coveney's talk at the annual conference of the world's largest and most prestigious general scientific society, the American Association for the Advancement of Science (AAAS 2014) in Chicago, Peter was featured on BBC News in an article about computational science for personalised medicine. The article was based in large part on his talk at AAAS, entitled "Computational Biomedicine: Towards the Virtual Human", and on his recent publication in the Journal of Chemical Theory and Computation. You can view the article here
David Wright, Benjamin Hall, Owain Kenway, Shantenu Jha and Peter Coveney have published an article in the Journal of Chemical Theory and Computation on the use of molecular simulations to evaluate the binding of clinically relevant inhibitors to HIV-1 protease. You can read more about the paper here
Peter Coveney will be giving a talk at AAAS 2014 in Chicago - the annual conference of the world's largest and most prestigious general scientific society, the American Association for the Advancement of Science. Peter's talk, "Computational Biomedicine: Towards the Virtual Human", will take place in the session "Virtual Humans: Helping Facilitate Breakthroughs in Medicine" on Friday, 14 February 2014: 1:30 PM-4:30 PM. Peter will also sit on the panel for a news briefing at 11am on Friday 14th. For more information, please follow this link.
Dr Joanna Lewis has been awarded £1000 by the British Society for Immunology, towards a visit to the South African Centre for Epidemiological Modelling and Analysis (SACEMA) and the CHER clinical trial. At SACEMA she will work with Dr Martin Nieuwoudt to apply mathematical models of immune recovery to data collected from HIV-infected children and adults starting antiretroviral therapy (ART). By doing so, they hope to better understand some of the effects of age and perinatal versus later infection on the dynamics of the HIV-infected immune system. Work she is carrying out in collaboration with the CHER trial examines the effect on long-term immunological health of different ART regimes during infancy. Infancy is likely to be a critical period in the development of T-cell dynamics because the thymus is highly active. In addition, ART administered to HIV-infected infants very soon after birth may prevent early exposure to HIV-derived antigen, and the effect of this delay on the development of the T-cell pool is as yet unknown.
Dr Derek Groen has been awarded a Software Sustainability
Institute Fellowship for a duration of 15 months, starting in January
2014. The Software Sustainability Institute has
been funded by EPSRC to cultivate world-class research with software. Derek will
use the fellowship to participate in meetings and workshops related to software
sustainability (e.g., those organized by the SSI), and to make himself available
to teach in software carpentry. In addition, he will use the fellowship funds to
finance focus meetings to make software tools more deployable and
future-proof. These tools include, but are not necessarily limited to, the open-source
HemeLB lattice-Boltzmann simulation environment,
and a Fabric-based toolkit for managing scientific (multiscale)
Genome England - The health secretary is launching a new government organisation to oversee the creation of a genomic revolution in healthcare, "by 2015 the aim is to put the UK at the forefront of the genome revolution worldwide, with whole-genome sequencing linked to patient diagnosis, treatment and care".
The Minister for Science and Universities, Rt Hon David Willetts, has announced that the Medical Research Council (MRC) will invest £20m capital funding (£5M going to UCL) in the establishment of a UK health informatics research institute, to be known as the Farr Institute. The Institute will add to an existing investment by charities, Research Councils and Government. Peter Coveney is an investigator on this award. For more information please click here.
Peter Coveney and Stefan Howorka's paper "Disentangling Steric and Electrostatic Factors in Nanoscale Transport Through Confined Space" has been published online in Nano Letters and can be found here.