Research project

Excitations in Complex Environments: Multiphysics embedding for large scale electronic structure

Staff

Lead researchers

Professor Chris Skylaris

Professor of Computational Chemistry
Research interests
  • Development of large-scale electronic structure methods, based on Density Functional Theory w…
  • Development of atomistic and multiscale simulation methods for materials using quantum and cl…
  • Application of these simulation methods to discover advanced materials in technologically rel…
Connect with Chris

Collaborating research institutes, centres and groups

Research outputs

Jacek Dziedzic, James C Womack, Rozh Ali & Chris-Kriton Skylaris, 2021, The Journal of Chemical Physics, 155(22)
DOI:
Type: article
Raesibe S. Ledwaba, James C. Womack, Chris-Kriton Skylaris & Phuti E. Ngoepe, 2021, Materials Today Communications, 27
DOI:
Type: article
Jolyon Aarons, Lucas Garcia Verga, Nicholas D.M. Hine & Chris-Kriton Skylaris, 2019, Electronic Structure
DOI:
Type: article