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

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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