New paper ‘The Role of Cation-Vacancies for the Electronic and Optical Properties of Aluminosilicate Imogolite Nanotubes: A Non-local, Linear-Response TDDFT Study’ published in ‘Frontiers of Chemistry’, read it here. Another application of […]
Chemical Physicist based at the University of Lincoln, UK.
Matt Watkins helped run a workshop introducing the CP2K atomistic simulation code to users in Ghent, Belgium. Ghent is quite old: the lecture room was somewhere in the middle of the building in […]
Paper published in the Journal of Chemical Physics utilising Sergey Chulkov’s implementation time dependent density functional theory into the CP2K code: ‘Oxygen vacancies strongly aect physical and chemical properties of oxides and […]
Matt Watkins was external examiner for Steven Hung’s PhD viva at the University of York. Steven’s thesis ‘Shaping Nanostructure Using Molecules’ passed with minor corrections.
A new paper published in Nature Chemistry where molecular nanowires up to one micrometer long were grown on insulating materials using a novel radical polymerisation process. This addresses one of the key […]
The Materials Chemistry Consortium conference will be held at the University of Lincoln from 3-5 September. The Materials Chemistry Consortium is a EPSRC funded High End Computing network that administers a substantial […]
New paper in PRB looking at effects of electric fields on defect migration in oxides. One place this is important is the gate oxides of transistors, especially modern devices with small dimensions. […]
New paper published in the Journal of Chemical Physics. It looks at an old problem of accurately calculating energies of charged species in an infinite (periodically repeating) crystal. The 1/r dependence of […]
Back from helping Iain Bethune run the CP2K summer school in at the national lab in Daresbury. Also big help from Sanliang Ling and David Benoit. Over the summer solstice we could […]
“First-Principles Modeling of Polaron Formation in TiO2 Polymorphs” was just published in the Journal of Chemical Theory and Computation. A very fruitful collaboration with Keith McKenna’s group at the University of York.