Daresbury DFTB+ School
Density Functional Based Tight Binding (DFTB) methods  are parameterised approximations to density functional theory. When properly fitted, DFTB can deliver results of comparable quality to first principles calculations (for example see  for chemically accurate parameterization) but at 100–1000 times lower computational costs. The DFTB+ code  is an open source implementation of a range of ground and excited state, electron and phonon transport and post-DFT methods adapted to several forms of DFTB, with low order and linear scaling methods available for many problems. The code also integrates with a number of frameworks and external tools for tasks including high throughput calculations, specific property calculations, advanced thermodynamic calculations and machine learning. It will run on platforms between a laptop and GPU accelerated supercomputers and is designed to allow long term reproducibility of results.
Balint Aradi (University of Bremen) - Organiser
Ben Hourahine (University of Strathclyde) - Organiser
Leon Petit (STFC Daresbury Laboratory) - Organiser