* Deadline 31 July * Pre-proposals call for 2021-22 Psi-k activities

The deadline for submitting pre-proposals for 2021-22 Psi-k activities funding is next Friday – 31 July. Don’t miss out… submit your pre-proposal online now. All information is included in the announcement below.

Psi-k is a worldwide network of researchers working on the advancement of first-principles computational materials science. Its mission is to develop fundamental theory, algorithms, and computer codes in order to understand, predict, and design materials properties and functions. Key activities of Psi-k are the organization of conferences, workshops, tutorials and training schools as well as the dissemination of scientific thinking in society [Excerpt from the mission statement at https://psi-k.net/].

In normal years Psi-k typically funds schools (1-2 weeks), workshops (2-3 days), international conferences (2-5 days), and codes/methods tutorials (3 days-1 week), with a focus on electronic-structure methods, developments, and applications. 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 https://psi-k.net/workshops/ for the 2020-21 activities).

For this call, while we plan to support some of these more traditional activities, we also call for a renewed focus on, attention to and ingenious development of novel models in research sharing, dissemination, teaching, and discussion – the freedom of our Charity allows us to consider less conventional proposals with funding devoted to digital or remote approaches.

We have a two-step application process to simplify and streamline applications, elicit more original proposals, improve planning, and avoid duplication of efforts. The present call for pre-proposals is for events that will take place between 1 April 2021 and 31 March 2022.

Please note: for this year only events that take place in August and September 2021 will NOT be considered for funding to avoid a clash with the rescheduled Psi-k Conference that will take place in Lausanne, 23-26 August 2021.

Pre-proposals should be submitted online by Friday 31 July 2020 (midnight UK time), describing the planned event (download a draft of the form here). Psi-k Working Groups (https://psi-k.net/groups) and Trustees (https://psi-k.net/admin/) 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 relevant Working Group leaders or members beforehand.

Feedback will be provided the week of Monday 21 September 2020. Pre-proposals that have been approved or mergers that have been successfully negotiated will then be invited to submit a full proposal by Friday 30 October 2020. These proposals will then be evaluated and approved – with full or partial funding – or declined at the meeting of the Trustees, Scientific Advisory Committee (https://psi-k.net/scientific-advisory-committee/) and Working Group leaders on Friday 27 November 2020.

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

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

SUBMIT YOUR PRE-PROPOSALS HERE.

The story of Psi-k: From CCP9 to Psi-k

Click here to read a brief, personal and unofficial account of the first 25 years of the Psi-k Network, written by members of the Band Theory Group at STFC Daresbury Laboratory. This is a record of the authors own recollections, particularly of events in the early days, and of the subsequent evolution of the Network as the scientific field itself evolved technically and intellectually. It is important to note that this is a record of how the authors saw things; it is in no way intended to be an “authorized history” of Psi-k.

Computational School on Electronic Excitations in Novel Materials Using the Yambo Code

From 27th to 31th January 2020 the YAMBO school devoted to first-principles calculations of electronic excited state properties in Novel Materials was held at the Abdus Salam International Center for Theoretical Physics on the Miramare seafront in Trieste. This school welcomed 56 participants from 22 countries, and 18 staff members among lecturers, teaching assistants, and organizers. The event was sponsored jointly by the Max Centre of Excellence Materials at Exascale, ICTP, and Psi-k network. The participants were 65% Master or PhD students and 35% postdocs. Overall participated 75% males and 25% females.

The goal of the school was to provide training on theoretical and computational methods to study the exciting properties with a particular focus on Novel Materials of interest for optoelectronics. In the morning, the students followed lectures on the fundamentals, from Density Functional Theory to linear response and many-body perturbation theory. A completely new session has been dedicated to real-time MBPT methods and simulations which are able to tackle electronic correlation beyond linear response.

The theoretical lectures were followed by technical ones on the implementation, within first principles, of the main theoretical equations, with a special focus on the Yambo code. Continue reading Computational School on Electronic Excitations in Novel Materials Using the Yambo Code