Prof Peter Coveney


Prof Peter V Coveney

Address: Department of Chemistry, UCL
Phone No: +44 (0)20 7679 4560
Fax No: +44 (0)20 7679 1501
Extension: 24560
Photo of Peter Coveney

Research areas of interest include:

  • Molecular modelling and computational chemistry
  • Cationic and anionic clays and their nanocomposites, including artificial and biopolymers
  • Mesoscale modelling and simulation
  • Kinetics of complex nonlinear physicochemical processes
  • Statistical mechanics
  • High performance and grid computing
  • Biomolecular simulation
  • Integrative Biomedicine
  • Computational science 


Peter Coveney Research Image

Peter Coveney leads the Centre for Computational Science, based in the Department of Chemistry. Our research focusses on many different areas, from molecular and mesoscale fluid dynamics simulations, to computational biomedicine, all based on high performance computational techniques. Our investigations span time and length-scales from the macro-, through the meso- and to the nano- and microscales. We also embrace grid computing as a means to push our research beyond the boundaries of what can be achieved using a single computational resource, often performing single simulations that span multiple grid machines, and invoke tools such as computational steering and high performance visualisation. 

Research Profile

Selected Publications

  1. O. Henrich , K. Stratford , P. V. Coveney , M. E. Cates , D. Marenduzzo, "Rheology of Cubic Blue Phases", Soft Matter, (2013), 9, 10243-10256, DOI: 10.1039/C3SM50228G
  2. M. Kunze, D. Wright, N. Werbeck, J. Kirkpatrick, P. V. Coveney, D. Hansen, "Loop Interactions and Dynamics Tune the Enzymatic Activity of the Human Histone Deacetylase 8", Journal of the American Chemical Society, (2013), Available Online, DOI: 10.1016/10.1021/ja408184x
  3. D. W. Wright, K. Sadiq, G. De Fabritiis, P. V. Coveney, "Thumbs down for HIV: Domain level rearrangements do occur in the NNRTI bound HIV-1 Reverse Transcriptase", Journal of the American Chemical Society, Available Online, 134 (31), 12885–12888, (2012), DOI: 10.1021/ja301565k
  4. I. Stoica, S. K. Sadiq, P. V. Coveney, "Rapid and Accurate Prediction of Binding Free Energies for Saquinavir-Bound HIV-1 Proteases", Journal of the American Chemical Society, 130, (8), 2639-2648, (2008). DOI: 1021/ja0779250.
  5. S. Buchsbaum, N. Mitchell, H. S. Martin , M. Wiggin , A. Marziali, P. V. Coveney, Z. S. Siwy, and S. Howorka, "Disentangling Steric and Electrostatic Factors in Nanoscale Transport Through Confined Space", Nano Letters, Available Online, (2013), DOI: 10.1021/nl401968r

All Publications

Professor Peter Coveney holds a Chair in Physical Chemistry and is Director of the Centre for Computational Science (CCS), an Honorary Professor in Computer Science and a member of CoMPLEX at UCL. He is also Professor Adjunct within the Medical School at Yale University, and Director of the UCL Computational Life & Medical Sciences Network ( Coveney is active in a broad area of interdisciplinary theoretical research including condensed matter physics and chemistry, materials science, life and medical sciences including collaborations with clinicians. Coveney is PI on the EPSRC Cross-Disciplinary Landscape Award on a New Approach to Science at the Life-Science Interface. He has held and holds a large number of EPSRC and EU grants, including that as PI of the RealityGrid e-Science project and its extension as a Platform Grant (2002-2009); inter alia, he also led the GENIUS project, developing lattice-Boltzmann fluid simulation techniques to model patient-specific brain blood flow in support of clinical decision making. He is a PI on the Medical Research Council funded Farr @ UCL Partners as part of the Farr Institute. He has been the recipient of several major US NSF and DoE funded supercomputing grants, and similar ones in Europe. Coveney is the recipient of an HPC Challenge Award (Supercomputing 2003), an HPC Analytics Challenge Award (SC05), and International Supercomputing Conference Awards (2004 and 2006). He is a founding editor of the Journal of Computational Science and to date has published more than 320 scientific papers and books including two best-selling popular science books (The Arrow of Time and Frontiers of Complexity, both with Roger Highfield). He is a founding member of the UK Government's E-Infrastructure Leadership Council and was a Medical Academy Nominated Representative on the UK Prime Minister's Council for Science & Technology Working Group on Data, Algorithms and Modelling. He is also a member of the London Centre for the Theory and Simulation of Materials, The Thomas Young Centre.

Peter Coveney, along with Paul Best and Riam Kanso have set up the consulting company CBK Sci Con ( with the support of UCL Business. CBK is devoted to the provision of high end scientific, technical and management advice to businesses operating within e-science domains. It draws on the accrued talent of the Centre for Computational Science and its reputation, accumulated over many years, where there are increasing opportunities for technology transfer and industrial involvement.