Ab initio Design of Structural Materials
1. Title: "Ab initio design of structural materials"
1.1 Subtitle: A start-up meeting of Work Group 15 of (hopefully)
new ESF Programme "Towards atomistic materials design" (Ψk)
1.2 Organizer:
Dr. Igor A. Abrikosov,
Associate Professor Condensed Matter Theory Group,
Department of Physics,
Uppsala University,
Box-530, SE-75121 Uppsala,
Sweden
Phone : +46(0)-18-4713568;
Fax : +46(0)-18-511784
E-mail: 
2.1 The main question of this workshop is "What is ab
initio design of structural materials?"
We will try to see particular examples of real industrial applications of the
first-principles electronic theory? Moreover, we will discuss in details ways
to combine ab initio calculations with phenomenological schemes, because currently
this combination seems to be the most efficient way to solve problems for highly
complex technological materials. We will encourage presentations where in addition
to studying technologically important materials, also technological problems
are addressed. We will ask speakers to spend some time on the issue of what
is the usefulness of the obtained results for the customers of our research?
"Theoretically" obtained patents will be discussed. We will try to
indicate some directions for future developments of this field.
2.2 WG 15 has just been formed. Currently, 27 scientists expressed their interest to joint the group. Most of them expect new contacts, collaborations, and exchange of ideas from their participation in the WG. At the same time, many of them do not know each other personally. It is essential that we get together for the start-up meeting. Members of WG15 agree with this suggestion.
3. I hope to attract most of the members of WG15 (see the most recent list of participants). I have sent an e-mail with this suggestions. I got positive responses from many group members. I am going to meeting many of them in the earlier October at the RTN workshop to discuss details. I hope to know much more by the Paris meeting on October 12. In addition, I contacted some industrial representatives (e.g. from ABB, Sweden), and I hope they can joint the workshop and present some talks discussing what does industry wants from basic research.
4. Again, the most important will be to get together members of WG15. In addition, I hope to attract some young researchers and students (via a poster session). The main involvement of participants is development/application of electronic structure methods for problems of materials science.
5. Because this is the first, start-up meeting, no tutorials seem to be useful at this stage.
6-7. A typical cost of a workshop in Sweden with a number of participants around 30 is 300 kSEK, or 30k Euro. 9kEuro can be obtained from Ψk. Provided the workshop is approved, I will apply to the Swedish Research Council and to Swedish Royal Academy of Sciences to get the rest of money. I have few participants from "less developed regions of Europe", therefore some travel grants will be necessary.
8. I plan to have the first meeting of WG15 in Sweden, in the Stockholm-Uppsala area.
9. Again, because this is the start-up meeting for WG15, I do not have any special plans for inviting Americans, though everybody is welcome, of course.