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Research project

EP/F038038/1 - Support for the UK Car-Parrinello Consortium - Skylaris

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

Joseph C.A. Prentice, Jolyon Aarons, James C. Womack, Alice E.A. Allen, Lampros Andrinopoulos, Lucian Anton, Robert A. Bell, Arihant Bhandari, Gabriel A. Bramley, Robert J. Charlton, Rebecca J. Clements, Daniel J. Cole, Gabriel Constantinescu, Fabiano Corsetti, Simon M.M. Dubois, Kevin K.B. Duff, Jos茅 Mar铆a Escart铆n, Andrea Greco, Quintin Hill, Louis P. Lee, Edward Linscott, David D. O'Regan, Maximillian J.S. Phipps, Laura E. Ratcliff, 脕lvaro Ruiz Serrano, Edward W. Tait, Gilberto Teobaldi, Valerio Vitale, Nelson Yeung, Tim J. Zuehlsdorff, Jacek Dziedzic, Peter D. Haynes, Nicholas D.M. Hine, Arash A. Mostofi, Mike C. Payne & Chris Kriton Skylaris, 2020, The Journal of Chemical Physics, 152(17)
DOI:
Type: article
Greg Lever, Daniel J. Cole, Richard Lonsdale, Kara E. Ranaghan, David J. Wales, Adrian J. Mulholland, Chris-Kriton Skylaris & Mike C. Payne, 2014, The Journal of Physical Chemistry Letters, 5(21), 3614-3619
DOI:
Type: article
A虂lvaro Ruiz-Serrano & Chris-Kriton Skylaris, 2013, The Journal of Chemical Physics, 139(16), 164110
DOI:
Type: article
A. Ruiz-Serrano & C.-K. Skylaris, 2013, The Journal of Chemical Physics, 139(5), 54107
DOI:
Type: article
S.J. Fox, Chris Pittock, C.S. Tautermann, T. Fox, C. Christ, N.O.J. Malcolm, J. W. Essex & C.-K. Skylaris, 2013, The Journal of Physical Chemistry B, 117(32), 9478-9485
DOI:
Type: article