3rd and 4th July 2017
The VisualHabit interface developed at Leeds builds on the power of the CCDC Mercury crystal structure platform, allowing a highly visual and graphical interaction with the underlying computational engine. Starting with some fundamental aspects of crystal science, the first day of the course will introduce key concepts in crystal chemistry and synthonic engineering before going on to introduce and demonstrate the key features of both the Mercury and VisualHabit software with respect to crystal analysis, habit prediction, bulk and surface synthonic analysis, and systematic search for interactions at the crystal surface. Further software demonstrations on Day 1 will include applications to particle processing properties and mechanical properties, culminating in a presentation by Dr. Robert Docherty of Pfizer exemplifying the use of the tools in the industrial context.
Day 2 will emphasise hands-on experience with Visual Habit and SystSearch software, leading delegates through a case study variously covering crystal exploration, calculating lattice energy and morphology, single crystal geometry, molecular environmental observation, obtaining surface and attachment energies, and how to model surface interaction with a solvent.
As well as the training aspects, this course will offer delegates the chance to interact with like-minded colleagues from industry and academe over dinner on the evening of Monday 3rd July at University House, Leeds.
Contact Jeanine Ferguson at University of Leeds for full details and joining instructions.