eSSENCE

Density Functional based Tight Binding (DFTB) workshop – Uppsala.

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.

Another seminar in the series
The eSSENCE of  . . . COMPUTATIONAL & THEORETICAL CHEMISTRY

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

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

This year’s *Physics Nobel Laureate Brian P. Schmidt* will deliver a
keynote address at e-Science 2011

*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 continue reading…

Another meeting in the series
The eSSENCE of  . . . COMPUTATIONAL & THEORETICAL CHEMISTRY
will take place tomorrow. Details below. 

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Time:  15.15 - 16.15 Wednesday 5 October 2011
Room: Ångström 2004
Contents: Two speakers 2 x 20 minutes + discussion

1.  Felix Ho, "A combined in silico and in vivo study of a putative proton
    channel in the water splitting enzyme Photosystem II"

2.  Henrik Ottosson: "Aromaticity and antiaromaticity: Fluffy organic
     chemistry concepts, or something more?"

Refreshments will be served afterwards.
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W E L C O M E !

Dear Colleagues,

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.
continue reading…

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. continue reading…

The seventh IEEE e–Science conference,
sponsored by the IEEE Computer Society´s Technical Committee for Scalable Computing (TCSC),
will be held in Stockholm, Sweden
from 5th – 8th December 2011.

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. continue reading…

Talk: Elastic computers, IT in the cloud, and other everyday commodities in 2015
Speaker: Professor Erik Elmroth, Dept. of Computing Science, Umeå University
Time: 15:15  Wednesday 25 May 2011
Room: Ångström 2004

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. continue reading…

The next meeting in the series
The eSSENCE of  . . . COMPUTATIONAL & THEORETICAL CHEMISTRY
will take place on Thursday 19 May. Details below.

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

The 7th IEEE International Conference on e-Science (www.escience2011.org), sponsored by the IEEE  Computer Society´s Technical Committee for Scalable Computing (TCSC), will be held in Stockholm, Sweden 5th – 8th December 2011. Please consider to contribute to this event.

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)

continue reading…