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Research project

G0502205 Towards Protein Simulation

Staff

Lead researchers

Professor Chris Skylaris

Professor of Computational Chemistry

Research interests

  • Development of large-scale electronic structure methods, based on Density Functional Theory within the ONETEP program (onetep.org)
  • Development of atomistic and multiscale simulation methods for materials using quantum and classical methods, and machine-learned potentials
  • Application of these simulation methods to discover advanced materials in technologically relevant problems such as batteries, hydrogen fuel cells and drud optimisation
Connect with Chris

Email: C.Skylaris@soton.ac.uk

Research outputs

Classical molecular dynamics simulations of the complex between the RAD51 protein and the BRC hairpin loops of the BRCA2 protein
Nick Buis, Chris-Kriton Skylaris, Guy Grant, Eeson Rajendra, Mike Payne & Ashok Venkitaraman, 2008, Molecular Simulation, 34(8), 749-759
DOI: 10.1080/08927020802213281
Type: article