Welcome to the Ψk Network
The legal registered address for Psi-k is...
Daresbury Science and Innovation Campus
Warrington WA4 4AD
It is a wide network, co-ordinated by a series of working groups, to help build cooperation in our subject. Everyone in the field of electronic structure calculations is invited to join the Ψk Portal. Via the portal you distribute and receive information about workshops, conferences and job announcements. You also receive the Ψk newsletters with highlights in our field and abstracts of preprints. Everyone is invited to contribute to this newsletter.
The Network is an attempt to promote excellence in our subject, through collaborations across Europe, including helping those in smaller, or new, or isolated research groups. Read more about Ψk.
Every 5 years a big conference is organized by Psi-k.
The most recent conference, Psi-k 2010,
took place in Berlin from 12-16 September 2010. A report of the 2010 conference is
The previous ones were in Swäbisch Gmünd in 1996,
2000 and 2005.
The next Psi-k conference will be held in San Sebastian-Donostia, Spain, 6 - 10 September 2015 (in the Kursaal building). Further information - and registration details - will be released soon.
- Call for Psi-k Workshop Proposals for 2015
Herewith we solicit for proposals for workshops, small conferences, hands-on tutorials and summer schools in the field of electronic-structure theory and calculations to be held in 2015, to be partially funded by the Psi-k Network. The deadline for Psi-k Proposals 2015 is Friday, October 17, 2014. There are two funding channels, the Psi-k Charity and the ESF Research Networking Programme “Advanced Concepts on Ab-initio Simulations of Materials” (Psi-k2) . The decision about funding and the source of the approved sum will be made jointly by the ESF Steering Committee and the Board of the Psi-k Charity.
For simplicity we ask you to submit your proposal only to the ESF Programme (and not to Psi-k Charity). To do this go to the ESF web page.
- Industrial Impact In the UK and other countries, there is an increasing pressure for funding agencies to demonstrate the social and/or economic benefits of the research they sponsor. Two recent attached reports that were initiated by Mike Payne and produced by Goldbeck Consulting for the UK-JCMaxwell CECAM Node address this issue. The first report entitled 'The economic impact of molecular modelling' takes a broad look at the use and benefits of atomistic modelling. For the Psi-k community, the most important conclusion of this report was that quantum mechanical methods were of greatest value when incorporated into systems with other modelling methods. The second report entitled 'Industry interactions of the electronic structure research community in Europe' is more specifically focussed at the Psi-k community. This report addresses the question of whether there is a significant volume of industrially funded research carried out within academic groups. Remarkably, 80% of the research groups surveyed had links with industry, usually with more than one company and extending over a significant period of time. Together, these reports provide clear evidence for the economic benefits of the research carried out by the Psi-k community. You are welcome to use the information in the reports to demonstrate the potential benefits of research, but please reference the reports and provide links to the documents if you do.
- You can download the 2014 Psi-k Workshops Poster from here.
(Posters from previous years are here... 2008, 2009, 2010, 2011, 2012, 2013)
PLEASE NOTE: the Psi-k/CECAM research conference in Berlin, originally scheduled for 25-29 August 2014, has been moved to 1-5 February 2015. For more information please visit the conference web pages.
- A celebration was held recently at STFC Daresbury Laboratory to congratulate Dzidka Szotek on the publication of the 100th edition of the Psi-k newsletter. (Click to see large image)
- Thomas C. Schulthess (ETH Zürich) was for the second time awarded the prestigious Gordon Bell prize for outstanding achievements in High Performance Computing (for more details, see below).
- The Ψk network, together with CECAM, will be running Hands-On Training
courses for young researchers. The programme and lectures from the recent Psi-k
Training Event, 25-31 March 2007, can be found here.
The next Graduate School is planned to take place in Bristol
from September 20 to 26, 2009. Further information can be found on the
Marie-Curie Psi-k Training web pages.
- Proposal for ESF Research Networking Programme: Advanced Concepts in ab-initio Simulations of Materials (pdf-doc). The list of Psi-k
- Final Report of ESF-Programme - Towards Atomistic Materials Design (Psi-k)
- The Psi-k Portal replaces the majordomo mailing list
...for archived news items please go here.
A full list of awards presented to Psi-k members can be found here.
- Thomas C. Schulthess (ETH Zürich) was for the second time awarded the prestigious Gordon Bell prize for outstanding achievements in High
Performance Computing. This year, he received the award together with Markus Eisenbach (Oak Ridge National Laboratory), Chenggang Zhou (J.P. Morgan Chase & Co), Donald M. Nicholson (Oak Ridge National Laboratory), Gregory Brown (Florida State University) and Jeff Larkin (Cray Inc.) for an application of the Locally Self-consistent Multiple Scattering (LSMS) KKR method combined with the Wang-Landau algorithm to compute the free energy and other thermodynamic properties of nanoscale systems. The code scales very well on the Cray XT5 at ORNL and reached a sustained peak performance of 1.03 Petaflop/s in double precision on 147,464 cores. (Project Presentation, Paper on LSMS+Wang Landau, Paper on the LSMS method)
- The 2006 Agilent Technologies Europhysics Prize has been awarded to Antoine Georges, Gabriel Kotliar, Walter Metzner and Dieter Vollhardt for their development of the Dynamical Mean-Field Theory
- Awards of Psi-k Members During the Period of the ESF Programme