We are looking to relaunch the cp2k network. We had a fantastic meeting in the brand brand new Imperial College London campus at White City, see the programme here. Including talks from Lev […]
CP2K UK meeting
Matt Watkins
Chemical Physicist based at the University of Lincoln, UK.
CP2K UK Users and Developers’ Meeting – 14th of June 2019
We are happy to announce the 2019 CP2K UK users and developers meeting will take place at Imperial College London on 14th June 2019. Our aim is to illustrate the potential of […]
New paper on Nanotubes
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 […]
CP2K workshop in Ghent
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 in J Chem Phys
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 […]
PhD Viva
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.
Growing nanowires
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 […]
Materials Chemistry Consortium conference comes to Lincoln.
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 […]
Effect of electric field on migration of defects in oxides: Vacancies and interstitials in bulk MgO
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. […]
Paper in Journal of Chemical Physics
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 […]
Centre for Computational Physics 