GPAW 2016: Users and developers meeting

University of Jyväskylä, Finland, June 7-10, 2016

Sponsored by psi-k and Faculty of Mathematics and Science, University of Jyväskylä

• Program and more details

• Report for the workshop

Talks

Jens Jørgen Mortensen	What’s new in GPAW and ASE
Kirsten T. Winther	Band gaps of 2D materials and van der Waals heterostructures
Simone Latini	Designing Excitons in van der Waals Heterostructures
Ask Hjorth Larsen	Efficient van der Waals functionals and other GPAW developments
Johannes Voss	Bayesian error estimation functionals and further method development at SUNCAT
Thomas Olsen	Designing topological in-plane heterostructures from first principles: 1T’-MoS2
Michael Walter	Efficient, yet accurate prediction of spectra with GPAW
Tuomas Rossi	Nanoplasmonics within time-dependent density-functional theory
Mikkel Strange, Karsten W. Jacobsen	Nomad
Marko Melander	Constrained DFT for Charge Transfer Calculations and Predicting Polaron Conductivity in Battery Materials
Bjørk Hammer	Two ASE tools: AutoNEB & Genetic Algorithm