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 […]
Chemical Physicist based at the University of Lincoln, UK.
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.
Matt Watkins will be helping run the 2018 CP2K summer school. This will run from 19th-22nd June 2018 at the Science & Technology Facilities Council’s Daresbury Laboratory. Details here. If you would […]
On 31st Jan two experts in multi-scale modelling visited to discuss simulating Atomic Force Microscopy in solution with Matt Watkins’ group and give the physics seminar. Gennady N. Chuev from the Institute […]
This week’s seminar will be jointly given by Dmitry Nerukh, Aston University and Gennady Chuev, visiting from the Institute of Theoretical and Experimental Biophysics, Russian Academy of Sciences, Pushchino, Russia. It will be in […]
Jorge Kohanoff (Queen’s University Belfast) gave an overview of modelling irradiated materials, focussing on damage caused by electron capture. Some interesting observations concerned the inadvisability of taking a trip to Mars and […]
Matt Watkins enjoying homemade Glühwein with (Dr) Yannick Wimmer after Yannick’s successful PhD defence. Yannick is in Tibor Grasser’s group at TU Wien. His thesis was entitled ‘Hydrogen Related Defects in Amorphous SiO2 […]
Matt Watkins made a flying visit to the groups of Philipp Rahe and Michael Reichling at the Universität Osnabrück, Germany. Philipp has just been awarded a prestigious award from the Emmy Noether Programme to […]
On 23-24 October 2017 Professor Lev Kantorovich from the King’s College London is visiting Dr Matthew Watkins and Dr Sergey Chulkov for a collaborative work on CP2K.