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Research project

The UK Car-Parrinello HEC Consortium

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

Email: C.Skylaris@soton.ac.uk

Research outputs

Multi-scale modeling and experimental investigation of oxidation behavior in platinum nanoparticles
Tom Demeyere, Husn U. Islam, Tom Ellaby, Misbah Sarwar, David Thompsett & Chris Kriton Skylaris, 2025, Physical Chemistry Chemical Physics, 27(19), 10011-10022
DOI: 10.1039/d5cp00134j
Type: article
Mechanisms of Li deposition on graphite anodes
Arihant Bhandari, Jacek Dziedzic, John R. Owen, Denis Kramer & Chris Kriton Skylaris, 2024, Journal of Materials Chemistry A, 12(43), 30073-30081
DOI: 10.1039/d4ta04834b
Type: article
Calculating shear viscosity with confined non-equilibrium molecular dynamics: a case study on hematite - PAO-2 lubricant
Dimitrios Mathas, Davide Sarpa, Walter Holweger, Marcus Wolf, Christof Bohnert, Vasilios Bakolas, Joanna Procelewska, Joerg Franke, Philipp Rödel & Chris-Kriton Skylaris, 2023, RSC Advances, 13(48), 33994-34002
DOI: 10.1039/d3ra06929j
Type: article