What is the correct way to perform calculations at different levels of sophistication in different regions of space, such as
QM/MM? (kieron, Volker, John,Marilia, Timo)
This group should be able to address the gap issue very well. What gap do hybrid functionals actually calculate, and why does it often agree with experiment? (kieron, Volker,Klaus-Peter, Hardy) How can we unite DFT with other approaches, such as GW, i.e., can we say what approximation we made to the Green's function when we ran an approximate functional? (kieron, John, Hardy)

TDDFT

How can we improve TDDFT to get non-local effects such as excitons WITHOUT reverse engineering many-body theory? (kieron, Volker, John, Carsten, Txema_Pitarke,Claudia, Hardy)

Transport

What is the electron mobilty? Can we find a (unique) way to define it?

Calculating transport through junctions with non-local self-energy ?

(Claudia, Stefan, Kieron, Hardy, Timo)

Materials-related problems

Oxide surfaces are terribly important. How can we get LDA+U, LDA-SIC, dynamical mean field theory, etc into the realm of DFT? (kieron, Volker,Klaus-Peter,Marilia) What functional is describing structure and lattice dynamics correctly for metals and insulators, bulk and surfaces, and molecular systems ?
(Klaus-Peter, Volker, Kieron, John,Claudia, Hardy, Timo)

Definitions & nomenclature

What is ....

Speeding up codes

The LAPW method is considered to be the most accurate solution of the Kohn-Sham equations. But can it compete with other methods being slower?
(Stefan, Claudia)

Add more topics or put your name to a topic you are interested in!Possible questions to discuss:## Van der Waals interactions

## How to deal with van der Waals interaction in DFT ? What is the appropriate functional ?

Where do we stand in calculating vdW by nonlocal correlation?-- Successes, failures, precision, surprises.Can, should or is it promising to generate functionals from RPA beyond plasmon-pole approximation?(Stefan, David, Volker,Klaus-Peter,Claudia, Txema_Pitarke, Hardy, Timo)## Combining and evaluating different approaches

What is the correct way to perform calculations at different levels of sophistication in different regions of space, such asQM/MM?

(kieron, Volker, John,Marilia, Timo)

This group should be able to address the gap issue very well. What gap do hybrid functionals actually calculate, and why does it often agree with experiment?

(kieron, Volker,Klaus-Peter, Hardy)

How can we unite DFT with other approaches, such as GW, i.e., can we say what approximation we made to the Green's function when we ran an approximate functional?(kieron, John, Hardy)

TDDFTHow can we improve TDDFT to get non-local effects such as excitons WITHOUT reverse engineering many-body theory?(kieron, Volker, John, Carsten, Txema_Pitarke,Claudia, Hardy)

## Transport

What is the electron mobilty? Can we find a (unique) way to define it?## Calculating transport through junctions with non-local self-energy ?

(Claudia, Stefan, Kieron, Hardy, Timo)Materials-related problemsOxide surfaces are terribly important. How can we get LDA+U, LDA-SIC, dynamical mean field theory, etc into the realm of DFT?(kieron, Volker,Klaus-Peter,Marilia)

What functional is describing structure and lattice dynamics correctly for metals and insulators, bulk and surfaces, and molecular systems ?(Klaus-Peter, Volker, Kieron, John,Claudia, Hardy, Timo)

## Definitions & nomenclature

What is ....## Speeding up codes

The LAPW method is considered to be the most accurate solution of the Kohn-Sham equations. But can it compete with other methods being slower?(Stefan, Claudia)