Teoretisk Kemi
Kungl. Tekniska Högskolan (KTH)
Laboratory of Theoretical Chemistry
Royal Institute of Technology
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Teoretisk Kemi
Laboratory of Theoretical Chemistry
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Home| MOLPROP meeting| General| Schedule| Registration| Hotel Accomodation| Getting here
Workshop on Density Functional Theory, Present and Future Challenges
and the
Final network meeting of MOLPROP
(European HPRN network
Molecular Properties and Molecular Materials HPRN-2000-00013)
| Date: | 23-25/4 and 26/4 2003 |
| Organizer: | Lars Pettersson, Hans Ågren, Stockholm |
| Location: |
Theoretical Chemistry Roslagstullsbacken 15 KTH, SCFAB S-106 91 Stockholm, Sweden |
| Hour: | Speaker: | Title: |
| 14:50-15:00 | Welcome Address | |
| 15:00-15:30 | Trygve Helgaker | The DALTON program |
| 15:30-16:00 | Andreas Köster | The deMon program |
| 16:00-16:30 | Elsebeth Schröder | Functionals for weak interactions |
| 16:30-17:00 | Coffe break | |
| 17:00-17:30 | Mark Casida | Time-dependent DFT |
| 17:30-18:00 | Dan Jonsson | DFT response theory calculations of ground and excited state properties |
| 18:00-18:30 | Pawel Salek | A new time-dependent DFT code with linear scaling |
| Hour: | Speaker: | Title: |
| 9:00-9:30 | Trond Saue | 4-component relativistic DFT: Applications |
| 9:30-10:00 | Hans Jorgen Jensen | Multi-configurational DFT |
| 10:00-10:30 | Thomas Heine | Tight binding DFT |
| 10:30-11.15 | Coffe break | |
| 11:15-11:45 | Helio Duarteh | QM/QM' DFT |
| 11:45-12.15 | Vladimir Malkin | Magnetic Properties: Challenges and Future Directions |
| 12.15-12.30 | Short break | |
| 12.30-13.00 | Antonio Rizzo | Molecular Properties: A challenge for DFT |
| 13:00-13:30 | Annick Goursot | Born-Oppenheimer MD in DFT |
| 13.30-15.00 | Lunch | |
| 15.00- | Separate program oriented sessions. | |
| Hour: | Speaker: | Title: |
| 9.00-9:30 | Zilvinas Rinkevicius | Spin restricted DFT for molecular properties |
| 9:30-10:00 | Patrizia Calaminici | DFT calculations of IR and Raman spectra |
| 10.00-10.30 | Kenneth Ruud | DFT studies of electronic and vibrational optical activity |
| 10:30-11.15 | Coffe break | |
| 11.15-11.45 | Patrick Norman | DFT complex response theory with applications. |
| 11:45-12:15 | Klaus Hermann | DFT calculations of X-ray spectra. |
| 12.15-12.30 | Short break | |
| 12:30-13:00 | Dage Sundholm | DFT calculations of absorption spectra |
| 13:00-13:30 | Dennis Salahub | DFT development and successes |
| 13.30-15.00 | Lunch | |
| 18.00-22.00 | Boat trip with dinner. | |
| Hour: | Title: |
| 10.00 - 13.00 | MOLPROP: Resolution of Scientific and Training Issues |
| 13.00 - 14.30 | Lunch |
| 14.30 - 16.00 | MOLPROP: Resolution of Organisational and Financial Issues. |
| 16.00 - 17.00 | MOLPROP: Outlook and Closing of Network |
You register by filling out the registration form.
Hotel accomodation will be advised.
We also list a set of hotels lying closeby SCFAB, and their approximate prices.
To reach the meeteng, follow directions given on our webpage.