Place: Uppsala University
Date: Wednesday-Thursday, March 14-15, 2012

organized by Professor Karin Larson, Department of Chemistry – Ångström Laboratory Uppsala University. Prominent guest to the workshop is Professor Thomas Frauenheim, University of Bremen, http://www.bccms.uni-bremen.de

Please find short introduction to the subject and abstracts for some of the talks attached in this announcement.

ABSintroBCCMS, AbstractUppsala1 , AbstractUppsala2

For further details and registration to the workshop, please contact Prof. K. Larson at e-mail: Karin.Larsson@kemi.uu.se or tel: +46 18 471 3750.

will take place 15 February. Details below. Prelminary times for the other
seminars this spring are: Wednesday 21/3, Thursday 19/4, Wednesday 23/5

*******************************************************
Time:  16.15  Wednesday 15 February 2012
Room: Ångström 12167
Contents: Two speakers 2 x (~20 + 5) minutes

1.  Marcus Lundberg: “Probing transition-metal bonds using theoretical
models of X-ray spectra.”

2.  Anders Karlén: “Virtual screening in drug discovery.”

3.  Short discussion about news or other matters of interest.

Snacks will be served.
*******************************************************

WELCOME!
/kersti (kersti@kemi.uu.se; phone 471 3767)

*Registration is still open* at http://www.escience2011.org/

e-Science 2011 Call for Participation
————————————-

The 7th IEEE International Conference on e-Science (e-Science 2011),
to be held in Stockholm, Sweden, during 5-8 December 2011, will bring
together leading international and interdisciplinary research
communities, developers, and users of e-Science applications and
enabling IT technologies. The conference serves as a forum to present
the results of the latest research and product/tool developments and
to highlight related activities from around the world.

See http://www.escience2011.org/ for details.

Important Dates
—————
Oct 17 – Early Registration Deadline

Keynote Speakers
—————-
BRIAN P. SCHMIDT, Australian National University
TONY HEY, Corporate Vice President of Microsoft Research Connections
PETER COVENEY, Department of Chemistry, University College London
YANNIS IOANNIDIS, Informatics and Telecommunications at the University
of Athens (NKUA)
PAR STRAND, Chalmers University of Technology, Gothenburg, Sweden

Program Highlights
——————
54 high quality papers on different aspects of eScience, from
applications to technologies and tools to infrastructures in the main
conference program

9 scientific workshops co-located with the conference on hot topics
like life science, data intensive science, clouds, multiscale
computing, interoperability, impact measurement of e-Science research,
e-Infrastructures across Europe and India, and computing for citizen
science.

Microsoft Research is collocating its annual e-Science Workshop
together with this year’s IEEE e-Science conference. Workshop subjects
include e-Science in the Cloud, new advances in Digital Humanities,
Semantics in Action, Environmental Informatics and a session devoted
to whether “NUI” is natural for scientists.

Social Program
————–
Dec 5: Jim Gray eScience Award Banquet sponsored by Microsoft at Hotel
Clarion Sign
Dec 6: Reception at Stockholm City Hall
Dec 7: Gala Dinner at Vasa Museum hosted by Microsoft

Registration
————
Full conference registration includes admission to all workshops and
technical sessions, a copy of the e-Science 2011 conference and
workshop proceedings, and admission to the full social
program. Special, reduced rates are available for one-day participants
(not including social program).

Sponsorship
———–
The conference planning committee would like to acknowledge the strong
support provided by the Microsoft Research eScience program.

We are grateful to our silver sponsors AMD and Adaptive Computing as
well as the Swedish Research Council for supporting this
event. Further sponsorship opportunities can be found at

http://www.escience2011.org/sponsorship

========================
CONFERENCE ORGANIZATION
========================

GENERAL CO-CHAIRS
—————–
ERWIN LAURE, KTH, Sweden
DAN HENNINGSON, KTH, Sweden

PROGRAM CHAIR
————-
SVERKER HOLMGREN, Uppsala University, Sweden

STEERING COMMITTEE CHAIR
————————–
RON PERROT, Queen’s University, Belfast, UK

With this letter we kindly invite you to suggest a project assignment for the forthcoming course, entitled ‘Project in Computational Science’. The course is organized by the Division of Scientific Computing at the Institute for Information Technology, Uppsala University and will take place in the period October 24-December 23, 2011.

With some of you we have already had the pleasure to work during some of the previous course editions, and some we contact for the first time. For completeness we shortly describe the course aims and organization.

The course comprises two-month work for students in their last years of study (usually the best ones) on a project, given by some industrial or academic institution.

The students work in teams of two or three, and should be exposed to conditions much closer to those in nonacademic institutions than those at the university. They have to work to a great deal on their own, including understanding the task, investigations, analysing and solving a given problem, planning, meeting deadlines to fulfill the tasks, communicating with the project supervisors, and reporting the results orally and in written form. A report on the work done has to be written and they usually get the month after the final oral presentation, to finish that.

The students work under the guidance of the project supervisors. We ask them, thus, you, to be present at least at two occasions: in the beginning, when the course starts and the projects are explained, and at the end, when the results are reported. The course participants work at our department and we are providing them with a working place, computing resources and some guidance regarding basic scientific, programming or organization questions, which might arise during the course period.

Some more details about the course organization, as well as about projects from earlier years, reports and posters can be found on the course web-pages:
http://www.it.uu.se/edu/course/homepage/projektTDB/ht11 – under preparation
http://www.it.uu.se/edu/course/homepage/projektTDB/ht10
http://www.it.uu.se/edu/course/homepage/projektTDB/vt10
http://www.it.uu.se/edu/course/homepage/projektTDB/vt09
http://www.it.uu.se/edu/course/homepage/projektTDB/vt08 etc.

The course has been moved from the Spring to the Fall term and we expect many participants this year, therefore we aim at collecting at least about 15 projects. The students will be given the right to list three projects they wish to work on and, unless a personal contact has been established earlier, the groups will be assigned to projects by us, taking into account their background knowledge and wishes.

At this stage we kindly ask you for a short description of a project (or projects) of interest for you, which could be fulfilled within two months.
The projects should target large scale scientific computations, defined in a broad sense. The project may target numerical simulations of some phenomena in Physics, Biology, etc, may be related to handling computationally heavy tasks within a data-base systems, parallel programming, programming modern heterogeneous architectures and so on.

In order to announce the projects on the web and make them accessible for the students as soon as possible, we would like to have your proposals at your earliest convenience but not later than by September 15, 2011.

Should you need more information about the course and its organization, please do not hesitate to contact me.

Thank you in advance for your help with this course and for the time invested.

Looking forward to hearing from you,

Maya Neytcheva
/Course coordinator/

P.S. For avoiding some possible misunderstanding, we state that, apart from Matlab, Comsol Multiphysics and Fluent, we are not in a position
to provide access to commercial software packages.
–
Course web-page: http://www.it.uu.se/edu/course/homepage/projektTDB/ht11
(currently under preparation)
________________________________________________________________________
Maya Neytcheva
Scientific Computing
Department of Information Technology
Uppsala University
Box 337, SE-75105 Uppsala, Sweden
__tel: +46-18-471 29 79 __fax: +46-18-52 30 49
__e-mail: Maya.Neytcheva@it.uu.se
________________________________________________________________________

Welcome to a Nordic conference on eScience in Helsinki,
29-30 September 2011!

date: Thursday-Friday,September 29-30, 2011
venue: Hotel Crowne Plaza, Helsinki, Finland
website: www.escience.fi

The conference looks at the key areas in eScience:

• e-infrastructures and cloud computing
• research methods and tools
• researcher training and education
• green technical solutions
• interaction between research, policy-making, business and industry.

The modern research requires strong support by its infrastructures, technical tools and instruments and socio-economic systems for organising and sharing knowledge. Today, ICT-based infrastructures are an essential foundation for all research and innovation. With a proper scientific e-infrastructure, researchers in different domains can globally collaborate on the same body of data, finding new knowledge and insights. The use of new technology in research enhances inventions, innovations and solutions that discard discipline boundaries. Taking up these opportunities challenges the academic and research communities and the innovation sector. How do we make the most out of the opening opportunities? What possibilities and benefits does the Nordic collaboration offer to the development of the e-infrastructures and the green technical solutions?

The conference is arranged as part of the Finnish Presidency in the Nordic Council of Ministers. It is connected with the Nordic e-Science Initiative managed by Nordforsk. The participation is free of charge but requires a registration by 9th September on www.escience.fi

The conference is organized by the Finnish Ministry of Education and Culture, CSC – IT Center for Science Ltd. (Finland), the Finnish Ministry of Employment and the Economy, the Nordic Council of Ministers, and Nordforsk.

Programme ( .pdf, 712 KB, 21.06.2011).
For updated version, please check on the conference website.

Scientific research is increasingly carried out by communities of researchers that span disciplines, laboratories, organizations, and national boundaries. The e–Science 2011 conference is designed to bring together leading international and interdisciplinary research communities, developers, and users of e–Science applications and enabling IT technologies. The conference serves as a forum to present the results of the latest research and product/tool developments and to highlight related activities from around the world.

A special emphasis of the 2011 conference is on advances in the application of technology in a particular discipline. Accordingly, significant advances in science and technology will be considered as important as the development of new technologies themselves. Further, we welcome contributions in educational activities under any of these disciplines.

1. Arts, Humanities and e-Social Science
2. Bioinformatics and Health
3. Physical Sciences and Engineering
4. Climate & Earth Sciences
5. Data Management and digital repositories
6. Research Tools, Workflow and systems, novel infrastructure
7. Education and e-Science practice

The proceedings will be published by the IEEE Computer Society Press, USA and will be made available online through the IEEE Digital Library.

Keynote Speakers

• Tony Hey : Corporate Vice President of Microsoft Research Connections
• Peter Coveney :  Department of Chemistry, University College London
• Yannis Ioannidis :  Informatics and Telecommunications at the University of Athens (NKUA)
• Pär Strand : Chalmers University of Technology, Gothenburg, Sweden

Location
The e-Science 2011 conference from 5-8 December, will take place at the Stockholm City Conference Centre/Norra Latin located in the central part of Stockholm, one of Scandinavia’s largest conference and convention venues, with a unique city centre location at Drottninggatan 71B.

Important Dates

• Workshop Proposals due: May 1st, 2011
• Full papers Due: Friday June 24th, 2011
• Notification of Acceptance: August 17th, 2011
• Camera-ready Papers Due:
• Registration: Opens June 20th, 2011

Abstract:
We all use internet services to a rapidly increasing extent, be it video-streaming or social network activities from YouTube and Facebook, live news and sports video streaming from CNN, Al-Jazeera or SVT Play, filing the tax return, or on-line shopping. The provision of such services has become a new challenge for data centers and network providers due to the enormous scale and often extreme and rapid variations in load. Imagine, for example, the challenge to meet the extreme load increases for the CNN news video streaming service when airplanes flew into the towers in New York, the tsunami hit the Japanese coast, or the revolution begun in Egypt. The next generation so-called cloud computing technology is proposed as a convenient solution, combining virtual machines and distributed systems technology to create large-scale virtual IT capacity that automatically – in minutes, not in days or months – can scale up or down capacity with magnitudes, or in real-time without service interruption move services closer to end-users to make better use of network capacity.

This presentation will give a first (and non-technical) introduction to the area of cloud computing and illustrate some of research challenges we need solve to make the fully automated, elastic and distributed cloud infrastructure a reality. You may not be aware of it, but you are probably using early cloud
technology already today…

********************************************************************
WELCOME!

The eSSENCE seminar committee
maya.neytcheva, ingela.nystrom, sverker.holmgren, kersti.hermansson, biplab.sanyal

********************************************************************

*******************************************************
Time:  15.15 – 16.15 Thursday 19 May 2011
Room: Ångström 2005
Contents: Two speakers 2 x 20 minutes + discussion about expt-theory

1. Jan Davidsson: “Visualizing chemical dynamics in solution
using time-resolved X-ray scattering and computational chemistry”

2. Daniel Spångberg: “Shell-model polarizable force-fields for solvents
and solvated ions from ab initio calculations.”

3. Short discussion about: “How can one best achieve fruitful collaborations
between experimentalists and theoretical/computational researchers?”
*******************************************************

WELCOME!
/kersti (kersti@mkem.uu.se; phone 471 3767)

The submission deadline for paper is June 24, 2011.

Thank you for also forwarding the information on this Call for Papers to those potentially interested to submit.

Best Regards
Sverker Holmgren
Uppsala University
(Program Chair)

===== Call for Papers =======
Researchers in all disciplines are increasingly adopting digital tools, techniques and practices, often in communities and projects that span disciplines, laboratories, organizations, and national boundaries.  The e-Science 2011 conference is designed to bring together leading international and interdisciplinary research communities, developers, and users of e-Science applications and enabling IT technologies. The conference serves as a forum to present the results of the latest research and product/tool developments and to highlight related activities from around the world.  Also, We are now entering the second decade of e-Science and the 2011 conference gives an opportunity to take stake on what has been achieved so far and look forward to the challenges and opportunities the next decade
will bring.

A special emphasis of the 2011 conference is on advances in the application of technology in a particular discipline. Accordingly, significant advances in science and technology will be considered as important as the development of new technologies themselves. Further, we welcome contributions in educational activities under any of these disciplines.

As a result, the conference will be structured around a number of e-Science themes:

1. Arts, Humanities and e-Social Science
2. Bioinformatics and Health
3. Physical Sciences and Engineering
4. Climate & Earth Sciences
5. Data Management and digital repositories
6. Research Tools, Workflow and systems, novel infrastructure
7. Education and e-Science practice

The proceedings will be published by the IEEE Computer Society Press, USA and will be made available online through the IEEE Digital Library.

SUBMISSION PROCESS

Authors are invited to submit papers with unpublished, original work of not more than 8 pages of double column text using single spaced 10
point size on 8.5 x 11 inch pages, as per IEEE 8.5 x 11 manuscript guidelines.

Templates are available from here:
http://www.ieee.org/web/publications/pubservices/confpub/AuthorTools/conferenceTemplates.html.

Authors should submit a PDF or PostScript (level 2) file that will print on a PostScript printer. Papers conforming to the above guidelines can be submitted through the e-Science 2011 paper submission system.

It is a requirement that at least one author of each accepted paper attend the conference.

Instructions for paper submission will be available at: http://www.escience2011.org/submission

More information on eScience 2011 is available at http://www.escience2011.org

IMPORTANT DATES :

Full Papers Due: Friday 24th June 2011
Notification of Acceptance: 17 August 2011