Psi-k - Ab initio (from electronic structure) calculation of complex processes in materials


XVIIth International Winterschool on Electronic Properties of Novel Materials

From:
Sent: 13 September 2002 17:51
To:
Cc: Angel Rubio Secades;
Subject: Attention: Walter Temmerman


Dear Dr. Temmerman,

Please find below in ascii format, our Workshop proposal for funding by the ESF Ψk Program. If you have any questions, please do not hesitate to contact me.

Regards,
Kaylene Atkinson

_____________________________________________________________

2003 Workshop Proposal for ESF Ψk Funding

1. Workshop Information

Workshop title:
XVIIth International Winterschool on Electronic Properties of Novel Materials

Purpose:
The Winterschool will provide a platform for reviewing and discussing new developments in the field of structural and electronic properties of molecular nanostructures, from theoretical calculations and basic experimental results to applications.

Organisers:

Prof. Hans Kuzmany
Institut fuer Materialphysik
Boltzmanng. 5
A-1190 Wien, AUSTRIA

Prof. Siegmar Roth
Max-Planck-Institut fuer Festkoerperforschung
Heisenbergstrasse 1
D-70569 Stuttgart
Germany

Prof. Joerg Fink
Institut fuer Festkoerper- und Werkstoff-Forschung
Postfach 270016
D-01171 Dresden
Germany

Prof. Michael Mehring
2. Physikalisches Institut
Universitaet Stuttgart
Pfaffenwaldring 57
D-70550 Stuttgart
Germany

International Advisory Board

W. Appel (D), B. Batlogg (CH), P. Bernier (F), R. Blinc (SI), C. Dekker (NL), M. Dresselhaus (US), J. Fink (D), J.E. Fischer (US), L. Forro (CH), E. Hammel (A), A. Hirsch (D), S. Iijima (JP), S. Louie (US), W. Krätschmer (D), H. Kroto (UK), H. Kuzmany (A), M. Mehring (D), E. Obraztsova (RU), C. Schönenberger (CH), S.Roth (D), A. Rubio (ESP) P. Rudolf (B), S. Saito (JP), H. Shinohara (JP), R. Smalley (US), E. Tosatti (I), F. Zerbetto (I), A. Zettl (US).

2. Scientific Content The Kirchberg Winterschool is an interdisciplinary workshop covering topics such as molecular electronics, organic metals, semi- and superconductors, low dimensional solids, conducting polymers, fullerenes and carbon nanotubes. The common feature of each of these is that the molecular structuring can be used to influence material properties. Hence theory, ab initio calculations and experimental results are important to give us a better understanding of low dimensional molecular systems and the resultant materials and their applications. First principle molecular dynamic simulations and transport calculations provide valuable insight into the microscopic mechanism of the nano-world. In particular, theory has been a main guideline for the development of the nanotube field, as it predicted beforehand most of the fascinating properties of nanotubes that now are widely utilised in designing new nano-devices. The present workshop addresses all the new advances in these new nano-materials from a joint perspective of first principle calculations and experiments. The main first principle technique used by theoreticians is density functional theory, which calculates the electron density of the material and is particularly important for assessing the electronic properties. The understanding provided by these types of interdisciplinary investigations is critical in the development of molecular devices, and has the potential to revolutionise the electronics/semi-conductor industry worldwide. Classical system architecture will soon reach a point where it will not support further improvement unless transistor features shrink to the molecular scale. As dimensions decrease, quantum mechanical tunnelling across the gate becomes important, and for a single molecule, it is now apparent that perturbation caused by electrical contacts is significant. A further challenge lies in integrating such devices onto a chip to demonstrate logic circuit capability. The Winterschool is an annual event since 1985, and provides an ideal opportunity for young scientists and leaders in the field to meet and discuss important developments, forge new collaborations and give new direction to molecular nanostructure research. Theoretical contributions to be printed in the 2002 volume amounted to 20% of the overall number of presentations. It was a decision of the organisers to raise the contribution of invited speakers in the field of theoretical investigations to about 50% for the IWEPNM2003.

3. Tentative List of Invited Speakers

(Theoreticians are indicated by *)

4. Participants
Based on attendance at previous Winterschools, we expect up to 150 participants for the 2003 conference. This intermediate number provides opportunity for as large a number of participants as possible whilst still enabling informal and detailed discussion of topics of interest. The aim of the winterschool is to bring together leading scientists with young researchers, to assist in the training of young researchers, provide a forum for continuing education of all participants and advance the prospects for the exchange of students and scientific ideas. The varied backgrounds of the participants - density functional, quantum and experimental physicists, computational engineers, biologists, quantum and experimental chemists - will strengthen the interdisciplinary outlook of the winterschool, and for theoreticians in particular, the increased interest of experimental groups for a reliable description of electronic spectroscopy for these molecular nanostructures is a strong motivation for our effort in this direction.

5. Format
The format of the Winterschool is a combination of tutorial lectures, giving an overview of important aspects of the field, and the most recent research contributions communicated through oral and poster presentations. The majority of participants are young researchers, either PhD students or post-doctorates and all are encouraged to generate a poster for the event, and submit a manuscript for inclusion in published conference proceedings. A select number of young scientists are invited to give oral tutorials about their work. The Winterschool provides an informal atmosphere for the interaction of all attending scientists, irrespective of age or nationality and the broad range of topics covered enables attendance by a large interdisciplinary scientific community. New researchers are encouraged to attend, and hence the number of participants, and indeed the breadth of the topic of molecular nanostructures is growing each year. In the afternoon session each day, mini-workshops will be organised. One mini-workshop will be dedicated to training in semi-empirical and ab initio quantum-chemical calculations.

6. Budget
The annual cost of organising the workshop is estimated to be EUR 80-90,000. A large percentage of this amount comes from participation fees. We are looking for ESF Ψk support to the value of ~EUR 10,000 to cover registration and some travel support to our invited speakers, and encourage further participation of PhD students and post-doctoral fellows working in the field by subsidising their costs.

(Estimates are in Euro)
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Expenses:
Organisation and administration 11,000
Prints, mailing, local costs 6,000
Proceedings 6,000
Support for invited speakers:
from Europe 15,000
from outside Europe 25,000
Support for students and young scientists 15,000
Support for emergency cases 5,000
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TOTAL ESTIMATED BUDGET 83,000

Sources of Funding:
University of Vienna - Rektorenkonferenz (not confirmed) 7,000
Verein zur Förderung der WS in Kirchberg 6,000
Sponsors from industry (not confirmed) 4,000
Conference fees 56,000
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ESTIMATED INCOME 73,000

ADDITIONAL SUPPORT REQUESTED 10,000

7. Other potential sources of funding
Additional funding will be sought through the following organisations:
· Verein zur Foerderung der Internationalen Winterschulen in Kirchberg,A
· Bundesministerium fuer Bildung, Wissenschaft und Kultur, Austria
· Universitaet Wien
· Nominal donations from industrial sponsors such as Aventis, Bruker, IMRA -Europe

8. Location of workshop
The winterschool will be held in Hotel Sonnalp, Kirchberg, Tirol in Austria from 8 - 15 March 2003. Conference and accommodation requirements are met by the hotel and surrounding guest houses. All events of the Winterschool, including a daily common dinner for all participants will take place at the Hotel, which guarantees optimum communication between the attendees.


Kaylene Atkinson
Synthetic Nanostructures Group
Max-Planck-Institut fuer Festkoerperforschung
Heisenbergstrasse 1
D-70569 Stuttgart
Germany

Telephone: +49 711 689 1430
Facsimile: +49 711 689 1010
Email:
http://www.mpi-stuttgart.mpg.de/start.html