Psi-k
Comment: Primary sources do not establish notability per WP:ORG. As it stands, this is just a corporate presentation. DoubleGrazing (talk) 08:49, 20 September 2026 (UTC)
- Comment: In accordance with Wikipedia's Conflict of interest guideline, I disclose that I have a conflict of interest regarding the subject of this article. Mjv500 (talk) 21:16, 4 September 2026 (UTC)
Ψk | |
| Abbreviation | Psi-k |
|---|---|
| Formation | 1994 |
| Founder | Volker Heine |
| Type | Registered charity; company limited by guarantee |
| Registration no. | 1126308 (England and Wales) |
| Legal status | Active |
| Purpose | Advancement of education and research in first-principles electronic-structure and computational materials science |
| Headquarters | Daresbury Laboratory, Warrington, Cheshire, United Kingdom |
Region | Worldwide (Europe-based) |
Chair of the Board of Trustees | Arash Mostofi |
Honorary Chair | Volker Heine |
| Website | psi-k |
Psi-k (styled Ψk) is an international, Europe-based network of researchers working on the first-principles, or ab initio, computer simulation of materials. Psi-k was founded in 1994 and constituted since 2007 as a charity registered in England and Wales, the network coordinates conferences, workshops, tutorials and training schools, and disseminates scientific information across the electronic structure community.[1][2]
The network serves the field of quantum mechanics — principally density functional theory and related many-body methods — to predict the structure, stability and properties of matter from the behaviour of its electrons alone, without empirical or experimental input. These methods underpin work on many materials, for batteries and catalyst, semiconductors, superconductors and biomolecules, and are increasingly combined with machine learning.[1] Psi-k does not itself carry out research or employ scientists; it acts as a coordinating and convening body for researchers based at universities and public research institutes.[2]
Psi-k's general conference, held roughly every four to five years, is described as the largest meeting worldwide in electronic-structure research; the 2022 edition at EPFL in Lausanne drew about 1,260 participants from 50 countries.[3]
History
Psi-k was established in 1994 as a bottom-up network of researchers, growing out of European collaboration in electronic-structure theory.[1][2] The theoretical physicist Volker Heine of the University of Cambridge initiated the network and later led it; he is its honorary chair.[4]
For much of its early history the network's activities were supported through European funding instruments. Between 2006 and 2010 the Science and Technology Facilities Council coordinated Psi-k Training in Computational Nanoscience, a training project funded under the Sixth Framework Programme to support graduate schools, hands-on tutorials and summer schools for early-career researchers.[5] From January 2011 to January 2016 the European Science Foundation ran the Research Networking Programme Advanced Concepts in ab-initio Simulations of Materials (Psi-k2), described by the foundation as "a smaller, but very important part of the broader activities of Psi-k".[6]
The network was incorporated as a company limited by guarantee on 29 November 2007 and entered on the register of the Charity Commission for England and Wales on 15 October 2008, with its registered office at Daresbury Laboratory in Cheshire.[7]
Organisation
Psi-k is governed by a board of trustees drawn from research institutions across Europe, advised by a scientific advisory committee. As of September 2026[update] the chair of the board is Arash Mostofi of Imperial College London.[4] The scientific work of the community is organised into working groups covering theoretical formalisms, algorithms and software, classes of materials and applications, and societal/industrial issues.[1][2]
Its registered charitable objects are to advance education in computational materials science through the coordination of collaboration and the dissemination of information on ab initio computational modelling, to promote the development of research methodology, and to organise conferences and training events in cooperation with scientific organisations in Europe and worldwide.[7] For the financial year ending 31 December 2024 the charity reported income of about £132,000 and expenditure of about £99,000.[7] Funding comes from contributions by member organisations and institutions, and from donations.[1]
Working groups
The community's scientific and outreach activity is organised through 22 working groups, arranged in four themes: physical formalisms (ground state and spectroscopy); algorithms, software and data; applications to real materials and materials design; and wider engagement. Each theme is overseen by two members of the board of trustees.[8]
A working group normally has about five members and an elected leader who serves for the interval between general conferences, usually five years; leaders are expected to propose at least one workshop each year. The groups are described by the network as representing the views of the community and organising activities to deliver its mission.[8]
Alongside the three scientific ones, the wider engagement theme covers social responsibility, early-career researchers, industry engagement, training and education, and policy engagement, reflecting the network's stated interest in the use of computational materials science outside academic research.[8]
Activities
Conferences and workshops
Psi-k coordinates about 20 to 30 workshops, conferences, schools and tutorials each year, and runs an annual research conference jointly with the Centre Européen de Calcul Atomique et Moléculaire (CECAM).[1][2]
Its general conference, open to the whole field, has been held at roughly five-year intervals:
| Year | Location |
|---|---|
| 1996 | Schwäbisch Gmünd, Germany |
| 2000 | Schwäbisch Gmünd, Germany |
| 2005 | Schwäbisch Gmünd, Germany |
| 2010 | Berlin, Germany |
| 2015 | San Sebastián, Spain |
| 2022 | Lausanne, Switzerland |
| 2025 | Lausanne, Switzerland |
| 2029 | Berlin, Germany (planned) |
The 2022 conference at EPFL, the sixth in the series, was attended by about 1,260 researchers of 82 nationalities and featured 38 symposia; [3] The 2025 edition, again in Lausanne, comprised 35 symposia in six parallel sessions.[10]
Publications and communication
Since 1994 Psi-k has commissioned "Scientific Highlight" articles reviewing developments in electronic-structure theory and computational materials science, originally circulated in the Ψk Newsletter and now published on its website; some are subsequently developed into peer-reviewed topical reviews in formal scientific journals.[11][12]
The network also operates a mailing list, used to circulate job advertisements and event announcements, which the UK Collaborative Computational Project CCP9 describes as "the predominant community forum in electronic structure", with more than 5,000 subscribers.[12]
Awards
Psi-k awards the Volker Heine Young Investigator (VHECI) Award, named after the network's founder, to early-career researchers in computational materials science. Finalists present their work at an award ceremony, with a first prize of €2,500 and four runner-up prizes of €500.[13]
Psi-k also awards the Collaborating Early-Career Investigators (CECI) Award for team efforts by young scientists, emphasizing the collaborative nature of modern scientific research. It has a similar procedure and prize to the VHECI.[14]
See also
- Density functional theory
- Electronic structure
- Computational materials science
- Centre Européen de Calcul Atomique et Moléculaire
- Volker Heine
References
- ↑ 1.0 1.1 1.2 1.3 1.4 1.5 "The Psi-k Community". Psi-k. Retrieved 4 September 2026.
- ↑ 2.0 2.1 2.2 2.3 2.4 "What is Psi-k?". Psi-k. Retrieved 4 September 2026.
- ↑ 3.0 3.1 "World's largest electronic-structure conference kicks off at EPFL". EPFL. 22 August 2022. Retrieved 4 September 2026.
- ↑ 4.0 4.1 "Governance". Psi-k. Retrieved 4 September 2026.
- ↑ "Final Activity Report Summary – PSI-K TRAINING (Psi-k Training in Computational Nanoscience)". CORDIS, European Commission. Retrieved 4 September 2026.
- ↑ "Advanced Concepts in ab-initio Simulations of Materials (Psi-k2)". European Science Foundation. Retrieved 4 September 2026.
- ↑ 7.0 7.1 7.2 "PSI-K, registered charity no. 1126308 – full print". Charity Commission for England and Wales. Retrieved 4 September 2026.
- ↑ 8.0 8.1 8.2 "Working Groups". Psi-k. Retrieved 5 September 2026.
- ↑ "Psi-k conference". Psi-k. Retrieved 4 September 2026.
- ↑ "Psi-k conference 2025". Retrieved 4 September 2026.
- ↑ "Highlights". Psi-k. Retrieved 4 September 2026.
- ↑ 12.0 12.1 "Psi-k & CECAM". CCP9. Retrieved 4 September 2026.
- ↑ "Volker Heine Young Investigator Award". Psi-k. Retrieved 4 September 2026.
- ↑ "Collaborating Early-Career Investigators Award". Psi-k. Retrieved 5 September 2026.
External links
- Official website
- Psi-k at the Charity Commission for England and Wales
Category:Organisations based in Cheshire Category:Charities based in England Category:Scientific organisations based in the United Kingdom Category:International scientific organizations Category:Computational science Category:Condensed matter physics Category:Organizations established in 1994
References
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