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Research project

EP/J015059/1 - A Platform for future development and application of the ONETEP software

Staff

Lead researcher

Professor Chris Skylaris

Professor of Computational Chemistry

Research interests

  • the computational study of chemical processes, especially in problems involving nanostructures and biological molecules. 

Research outputs

A novel fold for acyltransferase-3 (AT3) proteins provides a framework for transmembrane acyl-group transfer
Kahlan E. Newman,
Sarah N. Tindall,
Sophie L. Mader,
Syma Khalid,
Gavin H. Thomas,
& Marjan W. Van Der Woude
, 2023 , eLife , 12
DOI: 10.7554/eLife.81547
Type: article
Effect of polymerization statistics on the electronic properties of copolymers for organic photovoltaics
Gabriele Boschetto,
Hong-Tao Xue,
Jacek Dziedzic,
Michal Krompiec,
& Chris-Kriton Skylaris
, 2017 , The Journal of Physical Chemistry C , 1--10
DOI: 10.1021/acs.jpcc.6b10851
Type: article
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