Category Archives: Announcements

2019-20 CECAM-Psi-k Research Conference

2019-20 CECAM-Psi-k
Research Conference

CECAM and Psi-k launch every year a call to organize a high-profile common research conference on an outstanding subject in the broad area of computational materials science; topics can range from applications in solid-state materials, soft matter, or biomolecules, to theoretical, methodological, and algorithmic advances.

We particularly encourage proposals that promote interdisciplinary exchange and focus on exceptional scientific challenges that go beyond current boundaries and foster the discussion of new developments.

The conference should typically last between 3.5 and 5 days, and target a max of 100 participants, with a structure and format dedicated to foster plentiful discussions and informal interactions among the participants, proactively engaged by conference organizers and discussion leaders.

Proposals must be submitted online at All conference proposals will be peer reviewed, discussed, and ranked by a scientific panel composed by 3 members proposed by CECAM, and by 3 trustees of Psi-k.

In the proposal, emphasis should be placed on outlining the challenging scientific issues, which will be the focus of the event, and in establishing the proposed list of speakers and participants. Active participation of scientists at different stages of their career, and especially early states, is very encouraged, as is diversity in the speakers and leaders. The proposal should include information on the venue, which can take place anywhere in Europe, and a tentative budget. CECAM and Psi-k are committed to support the event with up to 30000 euro. Conference fees may be charged only to cover costs.

The call will be open until September 30th 2018 and the final outcome will be communicated during the autumn. The conference must take place between April 2019 and March 2020.

For further information, please do not hesitate to contact us.

Ignacio Pagonabarraga
CECAM Director
[email protected]
Nicola Marzari
Psi-k Chairman
[email protected]

2019-20 Psi-k Event Application

Herewith we solicit for proposals for activities in the field of electronic-structure theory and calculations to be held between 1 April 2019 and 31 March 2020, to be funded (in full/partially) by the Psi-k Network and Charity.

Psi-k has introduced a two-step application process, to improve planning and avoid duplication of efforts.

First, a pre-proposal should be submitted by Friday 31 August 2018 (midnight CEST), describing the planned event. The working groups ( will either approve this pre-proposal for full submission, reject it, or suggest a merger between different activities – you are very welcome to contact the working group leaders or members beforehand.

Feedback will be provided by Friday 14 September 2018. Pre-proposals that have been approved, or mergers that have been successfully negotiated, will then have to submit a full proposal by Friday 12 October 2018. These proposals will be evaluated and approved with full or partial funding, or declined, at the Psi-k meeting of the Scientific Advisory Committee ( and working group leaders, on Friday 23 November 2018.

Psi-k typically funds schools (1-2 weeks), workshops (2-3 days), international conferences (2-5 days), and code/method tutorials (3 days-1 week), with a focus on electronic- structure methods, developments, and applications. Its mission statement is available at Typical funding is of the order of 4,000/8,000/12,000 €, depending on size and duration (as a guideline, 30 €/expected participant/day); Psi-k funds around 25-35 activities for every call (see here for the 2018-19 activities).

The evaluation of the pre-proposals and full proposals will be based on:

  1. the scientific quality of the proposal,
  2. its intellectual diversity and inclusiveness,
  3. the scientific merit of the organizers, and
  4. appropriateness of budget, while of course
  5. responding to the Psi-k mission statement.

This form (as one single PDF document) should be uploaded by the deadline of Friday 31 August 2018 (midnight CEST) at

Please name your file as follows:
(example: Jones_Fundamentals_of_QM_April2019.pdf).

Pre-proposal WORD document
Pre-proposal PDF document

Reporting: The organizers of successful proposals must deliver a report of the event, and preferably provide access to the presentation materials through the Psi-k website.

With best regards,

Nicola Marzari
Psi-k Chairman

Peter Dederichs
Psi-k Financial Officer

Share your forum posts and workshop reports to social media

Did you know that you can now share your Psi-k forum posts to Twitter and Facebook?

Reach a wider audience by tweeting your forum posts – or workshop reports – direct from the Psi-k website.

If you open the posts in the forums, or the workshop reports posted to the front page magazine, you will now see the sharing buttons at the bottom of the page.

Thank you to Mike Towler for his development work!

Psi-k Volker Heine Young Investigator Award 2018

“For research excellence in all fields involving electronic structure calculations”

Young computational science researchers are invited to put themselves forward for the Psi-k Volker Heine Young Investigator Award 2018.  The finalists will compete at a special session of the joint EPS Condensed Matter Division and German Physical Society (CMD/DPG) Spring Meeting in Berlin, during March 11-16, 2018.

The Volker Heine Award session will be part of the Symposium:
Frontiers of Electronic Structure Theory: Correlated Electron Materials

Purpose: The purpose of the Psi-k Volker Heine Young Investigator Award is to recognize an individual for her or his outstanding computational work in any type of condensed-matter, materials, or nanoscience research involving electronic structure calculations. In 2018 there will be one award of 2500 Euro and four runner-up prizes of 500 Euro each. The prize is sponsored by npj Computational Materials.

Regulations and Procedure:

1) Applicants may be of any nationality working anywhere in the world.

2) The applicant’s PhD certificate must not be dated more than 5 years before the first day of the joint CMD/DPG – EPS Conference (March 11, 2018). Those who have not yet completed a PhD can also apply.

3) Young investigators who wish to compete for the Psi-k Volker Heine Young Investigator Award 2018 must submit:

  • abstract (in the format of the abstracts for the conference)
  • two-page description making the case for her/his outstanding scientific contribution
  • extended CV (incl. list of publications and talks/posters)
  • evidence of satisfying the conditions of regulation (2) above.

These items must be submitted by email, as a pdf attachment, to the chairperson of Psi-k whose address is given below. It must be received not later than December 1, 2017. The abstract must also be submitted as a regular contribution to the CMD/DPG Conference.

4) The candidate must arrange for two confidential support letters to be sent directly by to the Psi-k chairperson (see below). These letters (sent by email) need to be received before December 1, 2017. One of the letters must certify that the candidate meets the requirements of regulations (2) above.

5) The Psi-k Trustees will select five finalists who will get an invitation to present their work at the CMD/DPG Conference (25 min. talk + 5 min. discussion). After these presentations, the award committee will select the award winner.

6) The award winner will receive her or his award of 2500 Euro and the four runner-up their prizes of 500 Euro each, together with a certificate, at a presentation on the Psi-k Scientific Get-Together during the conference.

Award Committee: The award committee will consist of selected invited speakers of the CMD/DPG Conference and three members of the Psi-k Trustees.

Risto Nieminen
Psi-k Chairman
[email protected]

Call For Proposals – 2018 Psi-k Workshops

Herewith we solicit for proposals for activities in the field of electronic-structure theory and calculations to be held  between March 1, 2018  and March 1, 2019, to be partially funded by the Psi-k Network and Charity.

Submission of Proposals:

The deadline for the proposals is Friday, October 13, 2017.

The applications should be submitted on-line using the link

The types of activities that can be sponsored include workshops, small conferences, hands-on tutorials, summer schools and graduate-level university courses. The latter should be given by experienced teachers and be open to students from different universities.

Continue reading Call For Proposals – 2018 Psi-k Workshops

Ove Jepsen

We are sad to report the passing of Ove Jepsen, who died suddently on January 4th at age 73.

Ove was was an internationally recognized pioneer of electronic-structure calculations. From 1979 until beyond his retirement in 2011 he worked at the Max-Planck Institute for Solid-State Research in Stuttgart where he contributed significantly to the friendly, international atmosphere, had many collaborations across departments, and was highly respected.

The full obituary is available here.

Call for Psi-k Workshop Proposals 2017

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 between April 1, 2017 and March 31, 2018, to be partially funded by the Psi-k Network and Charity.

Submission of Proposals

– The deadline for the proposals is Friday, October 14, 2016.
– The applications should be submitted on-line using the link
– The applications should contain the following information: proposal title, scientific summary and abstract, programme outline,  tentative budget, CV(s) of the organiser(s), a provisional list of speakers/participants, and connection to Psi-k Working Group(s).
– A template for your proposal is available here – WORD / PDF. Applications will only be accepted if submitted using this official template.
– The  applications will be reviewed, and the funding decisions will be made in December 2016 by the Psi-k Scientific Advisory Committee and the Psi-k Board.

Working Group Connections

The Psi-k Working Groups represent the core of the Psi-k activities. Each Working Group has a Coordination Committee of experienced scientists in the field, headed by the Spokesperson. The Psi-k Working Groups, their Spokespersons and the Coordination Committee members are listed on the Psi-k website ( If you plan to organize an activity in the field of one of the Working Groups, please contact the spokesperson and/or the committee members.

Training activities and interdisciplinary workshop activities such as Industry Workshops can be exempted from this requirement, if justified in the proposal.

Collaboration with CECAM

As in past years, we encourage applications for joint CECAM/ Psi-k Workshops as well as CECAM/Psi-k Tutorials for electronic-structure methods and applications.

With best regards,

Risto Nieminen
Psi-k Chairman

Peter Dederichs
Psi-k Financial Officer

Walter Kohn

We are sad to report the recent passing of Walter Kohn, who died  Tuesday 19 April in Santa Barbara, California.

The following is his obituary from the New York Times


Walter Kohn, an Austrian-born American scientist and former refugee who shared a Nobel Prize in Chemistry — a subject that he had last formally studied in high school — died on last Tuesday in Santa Barbara, Calif. He was 93.

The cause was cancer of the jaw, his wife, Mara Vishniac Kohn, said.

As a teenager, Dr. Kohn had escaped to England from Nazi-occupied Vienna less than a month before World War II erupted, found himself shipped to Canada as an “enemy alien” and later built a long, distinguished academic career in the United States, becoming an American citizen in 1957.

He was awarded the chemistry prize by the Royal Swedish Academy of Sciences in 1998. At the time, he was teaching at the University of California, Santa Barbara. He shared the award with John A. Pople, a British-born mathematician at Northwestern University.

Dr. Kohn was credited with a discovery that applied quantum mechanics and advanced mathematics to explain complex chemical reactions.

Continue reading Walter Kohn