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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

More research

Accepting applications from PhD students.

Connect with Chris

Profile photo 
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Name 
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Job title 
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Research interests (for researchers only) 
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In Pure (opens in a new tab), select ‘Edit profile’. Under the heading 'Curriculum and research description', select 'Add profile information'. In the dropdown menu, select 'Research interests: use separate lines'.

Contact details 
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ORCID ID 
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Accepting PhD applicants (for researchers only) 
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About

Chris-Kriton Skylaris is Professor of Computational Chemistry at the University of Southampton.

His research interests are on the development of large-scale quantum atomistic and multiscale simulation methods, motivated by the need to provide solutions to challenging chemistry problems such as materials for advanced batteries and hydrogen fuel cells, catalysis and drug optimisation.

Professor Skylaris is accepting applications from PhD students. Please view the open PhD adverts where Professor Skylaris is the lead supervisor: 

Application of linear-scaling quantum mechanics methods to hydrogen transport through complex materials

Large-scale electrochemical DFT models of a PEM hydrogen fuel cell

You can update this in Pure (opens in a new tab). Select ‘Edit profile’. Under the heading and then ‘Curriculum and research description’, select ‘Add profile information’. In the dropdown menu, select - ‘About’.

Write about yourself in the third person. Aim for 100 to 150 words covering the main points about who you are and what you currently do. Clear, simple language is best. You can include specialist or technical terms.

You’ll be able to add details about your research, publications, career and academic history to other sections of your staff profile.