From atoms to molecules and more: Large-scale quantum mechanical simulations of materials Event

 

Chris-Kriton Skylaris graduated with a first class Chemistry degree in 1996 from the University of Athens in Greece. He then studied for a PhD in Quantum Chemistry at the University of Cambridge, which he obtained in 1999. Following an EU ICARUS Fellowship at the CINECA supercomputing centre in Bologna in Italy, he carried out postdoctoral research in the Theory of Condensed Matter group at the Cavendish Laboratory at the University of Cambridge, till 2004. He then moved to the Theoretical Chemistry Laboratory of the University of Oxford. He has held a Royal Society University Research Fellowship from 2004 till 2012. In 2006 he was appointed to a Lectureship in Chemistry at the University of Southampton. Chris is currently a Professor of Computational Chemistry and Head of Teaching in Physical Chemistry.

Chris’s research focuses on the development of theory, algorithms and codes for quantum mechanical (QM) calculations from first principles on parallel computers, and their applications in simulations of biomolecules and nanostructures. He has produced significant research contributions towards “black box”, chemically accurate, linear-scaling quantum chemistry approaches, culminating in the development of the ONETEP program, of which he continues to be leading author.