The CASTEP Developers Group are pleased to announce that a hands-on training workshop will be held in Oxford from 19th - 23rd August 2019. There will be a particular focus on the prediction of solid-state NMR parameters; however, the workshop will be of interest to researchers from a wide variety of disciplines.

http://www.castep.org/CASTEP/Workshop2019

This hands-on workshop is targeted towards scientists who wish to use density functional theory (DFT) methods in their research. This year's workshop has a particular emphasis on the prediction of solid-state NMR parameters, but will be of interest to researchers from a wide variety of disciplines.

The aim is to teach the basics of ab initio atomistic materials simulation using the CASTEP plane-wave pseudopotential code. The workshop will consist of lectures, demonstrations and practical hands-on sessions using a high-performance compute cluster. Topics to be covered include:

• DFT in the solid state, k-points, Brillouin zones

• Simulations using plane-wave DFT

• Ground-state Structures and Phase stability

• Ab initio lattice dynamics and vibrational spectroscopy (IR, Raman, INS, IXS)

• Solid-state NMR properties (theory, applications to real materials (disorder dynamics) visualisation of NMR tensors, and links to spin-simulation codes)

• Ab initio Random Structure Searching (AIRSS)

The course will be taught by

• Dr Albert Bartok-Partay (STFC Rutherford Appleton Laboratory)

• Prof Stewart Clark (Durham University)

• Dr Phil Hasnip (University of York)

• Dr Dominik Jochym (STFC Rutherford Appleton Laboratory)

• Dr Andrew Morris (University of Birmingham)

• Dr Rebecca Nicholls (University of Oxford)

• Prof. Chris Pickard (University of Cambridge)

• Prof. Keith Refson (Royal Holloway, University of London)

• Dr Simone Sturniolo (STFC Rutherford Appleton Laboratory)

• Prof Jonathan Yates (University of Oxford)

Participation Fee: £100. Due to the generous funding from our sponsors CCP-NC and UKCP we are able to charge a fixed academic participation fee of £100. This applies to everyone working for, or studying in, Universities or government institutions both in the UK and Internationally. The fee includes course materials, refreshments, and a conference dinner. For those living outside Oxford, 5 nights' bed and breakfast at St Edmund Hall is included in this fee (nights of Sunday 18th to Thursday 22nd August). The fee for participants from Industry is £350.

Application Deadline: 12th July 2019.

Enquiries to castep.workshop@gmail.com