Chemical Physicist based at the University of Lincoln, UK.
A paper summarizing the capabilities and developments in the CP2K atomistic software suite has just been published in the Journal of Chemical Physics as the editor’s choice. Lincoln’s contribution was to the […]
As part of the Excalibur Project (Exascale Computing: ALgorithms and Infrastructures Benefiting UK Research), the Materials Modelling community held their mini kick-off meeting on Monday May 11th. The working group is to […]
Dear colleagues, MCCM 2020 is postponed. Website: https://www.ccp5.ac.uk/midlands2020 Natalia Martsinovich and Matt Watkins
The Midlands Computational Chemistry Meeting 2020 is postponed. It is our pleasure to announce the Midlands Computational Chemistry Meeting, which will take place on the 16th April at the University of Lincoln. […]
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 […]
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 ‘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 […]
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.
