The Centre for Computational Science


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.

Latest News

  • Roger Highfield has posted an article on The Telegraph website titled "New 'Virtual Laboratory' will change how we approach material chemistry", which concerns James Suter, Derek Groen and Peter Coveney's work on predicting the large scale properties of materials based on their chemical composition.
  • The BBC have published an article on James Suter, Derek Groen and Peter Coveney's work on predicting the large scale properties of materials based on their chemical composition, which was published in Advanced Materials.
  • James Suter, Derek Groen and Peter Coveney have published a paper -- the first ever Feature Article -- in Advanced Materials on "Chemically specific multiscale modeling of clay-polymer nanocomposites reveals intercalation dynamics, tactoid self-assembly and emergent materials properties". You can read more about the article here.
  • Peter Coveney will be presenting the paper “p-medicine: A Medical Informatics Platform for Integrated Large Scale Heterogeneous Patient Data” at the AMIA 2014 conference in DC in November 2014. AMIA is the academic home for informatics and the Symposium is the world's leading scientific conference for medical informatics. The paper will be published in AMIA Annual Symposium Proceedings. For more information please click here.
  • Gary Davies and Peter Coveney have published a paper in Advanced Materials on "Assembling Ellipsoidal Particles at Fluid Interfaces using Switchable Dipolar Capillary Interactions". You can read more about the article here.
  • The CCS's research on computing patient-specific HIV treatment methods has appeared in a Huffington Post article on "Computing a Cure for HIV: 9 Ways Supercomputers Help Scientists Understand and Treat the Virus" (our research features at #7 in the list). NSF have noted that the article is one of their most popular in recent months.
  • The Centre for Computational Science has been awarded fellowship and visitor funds from UCLQ for a project titled "New Directions in Quantum Simulation for Quantum Chemistry". The project is a collaboration between Peter Love of Harvard University and Peter Coveney of UCL.
  • Peter Coveney, Sergey Karabasov, Dmitry Nerukh, Alfons Hoekstra, and Bastien Chopard have edited a special issue of Philosophical Transactions of the Royal Society A, titled "Multiscale systems in fluids and soft matter: approaches, numerics and applications". The issue will be available online from June 30th 2014.
  • "Computational Biomedicine" has been published by Oxford University Press. The textbook was edited by Peter Coveney, Vanessa Díaz-Zuccarini, Peter Hunter, and Marco Viceconti. The book is available here. See the cover image below:

  • Derek Groen and Peter Coveney have appeared in an article in The Independent. The article, titled "Computer simulation could become 'integral' in the diagnosis, treatment, or prevention of disease by the end of the century", can be found here.

  • Miguel O. Bernabeu, Timm Krüger (University of Edinburgh), and Peter Coveney secured funding from ARCHER, UK’s national supercomputing service, to implement advanced models of rheology and oxygen transport in HemeLB. HemeLB is an open source, parallel, lattice-Boltzmann blood flow simulator currently developed at the CCS. This project wil be undertaken in collaboration with UCL's Research Software Development Team.
  • News Archive

    alpha-hemolysin hiv blood flow