All posts by Damian Jones

Member of the STFC Scientific Computing Department. Based at STFC Daresbury Laboratory, Warrington, UK.

Psi-k Administration Update

Dear Psi-k Community

This is just a quick update from Psi-k administration.

Firstly, I hope that you are all doing OK and that you are managing to adapt to this new and strange situation we all find ourselves in? The last few weeks have certainly been challenging for everyone.

I am now fully set-up for home working and will be answering all of the emails received over the last few weeks in the next day or two. Thank you for your patience. As you can imagine there were certain parts of my day-to-day job that needed to be prioritised in order to ensure that things could go on as normally as possible. Everything is now in order and I can start to catch up on emails and actions that had to be put to one side.

I hope that you all continue to stay safe and that we can return to normal quickly.

Best Regards

Damian

Registration for Psi-k 2020 is now open!!!

SwissTech Convention Centre, Lausanne, Switzerland
Monday 14 – Thursday 17 September 2020

 

IMPORTANT NOTICE

With the current COVID-19 situation causing the cancellation of major events and conferences around the world, there is now significant uncertainty regarding Psi-k 2020 as well. Although we are still hoping that the conference can take place as planned, we are following the evolution of the situation closely and expect to have a clearer idea in the next few weeks regarding whether to maintain the event, or whether to postpone it to next year.

In order to avoid incurring any potential cancellation costs, we recommend that you refrain from making any travel plans for the time being.

The registration system has been suspended until a final decision is made — if the conference is maintained this year, all registration deadlines will be extended. Participants who had already registered will be contacted once a final decision is made.

Thank you for your patience in these exceptional time, and stay safe!


This is the largest event worldwide in first-principles simulations; it is held every 5 years (the last two editions, in Berlin in 2010 and in San Sebastian in 2015, had more than 1000 participants each), and with 7 plenary talks, 140 invited talks, and 170 contributed talks it promises to be the most exciting, defining event in the field.

Early-bird deadline is May 1, 2020 – one can register right away, and submit an abstract later (by May 1, 2020, to be considered for a contributed talk, or by Aug. 1, 2020, for a poster). All information – including registration, program, accommodation, and childcare – is available at https://www.psik2020.net. Continue reading Registration for Psi-k 2020 is now open!!!

Volker Heine on Wikipedia

How much do you know about one of the founders of Psi-k Volker Heine, who is considered a pioneer of theoretical and computational studies of the electronic structure of solids and liquids and the determination of physical properties derived from it?

Psi-k awards the Volker Heine Prize for young researchers during the Psi-k Get Together at the Spring DPG Meetings in Germany – the last was awarded in Berlin in 2018 – but who is Volker Heine?

Have a look at Volker’s Wikipedia page and read more about his life, research and achievements.

AB INITIO MODELLING OF ADVANCED MATERIALS (AMM 2019)

Workshop Ab initio Modelling of Advanced Materials (AMM 2019)
10-13 September 2019, Onegin hotel, Ekaterinburg, Russia

From 10th to 13rd September 2019 the second workshop AMM2019 devoted to the recent progress in the development and application of ab-initio based methods of calculation and thermodynamic/kinetic modeling for microstructure and finite-temperature properties of a wide range of materials was held at conference hall of Onegin hotel in Ekaterinburg, Russia. This workshop welcomed 73 participants from 14 countries (including organizers), and 3 staff members. During the workshop, 25 oral talks and 14 key-note lectures were presented. The event was sponsored Psi-k organization, and the Institute of Metal Physics Ural division RAS (Ekaterinburg, Russia).

The purpose of this workshop was to brings together prominent scientists from the area of theoretical modelling to assess the state of the art in applications of the electronic structure theory for the knowledge-based design of advanced materials. Because the AMM2019 workshop was scheduled as a satellite to the international conference on magnetism EASTMAG-2019, the cooperation-promoting atmosphere of the both events were provided. The special topic of AMM2019 was related to problems of magnetism and magnetic materials. The main focus of the AMM2019 was to provide a fruitful framework for development and dissemination of novel ideas and concepts in order to resolve the present challenges in the field and development of new strategy for design of the materials by using combined multi-disciplinary efforts.

Read the full report.

CPMD 2019 “Pushing the Boundaries of Molecular Dynamics”

CECAM-HQ-EPFL, Lausanne, Switzerland
July 22, 2019 – July 24, 2019

CPMD meetings have a tradition stretching back two decades in bringing together a diverse mix of computational scientists working on different aspects of molecular dynamics simulations, combining
aspects of electronic structure theory and statistical sampling methods, as well as state-of-the-art applications ranging from materials science to biophysics.

This edition of the meeting – which marked the 20th anniversary of the first CPMD meeting at Ringberg Castle (Munich) – focused on identifying the most pressing challenges in the field, and on discussing the most promising directions to face such challenges. Given the growing relevance of machine-learning methods in the field of atomic-scale modelling, the topic was given a particular
focus, informed the choice of the speakers and the organization of the program.

Read the full workshop report.

SCIENTIFIC REPORT ON THE 19TH INTERNATIONAL WORKSHOP ON COMPUTATIONAL PHYSICS AND MATERIAL SCIENCE: Total Energy and Force Methods

The “Total Energy” Workshop has been held traditionally in Trieste every two years since 1987.  This year, the Workshop is about recent progress in electronic structure methods and their applications. The aim is a critical discussion of methods and of possible combinations and challenging applications. It has become one of the most popular regular events of the international ab-initio electronic structure community.  This event also has the ambition to reach out to countries where the electronic structure community is not traditionally as strong as in Europe, the USA and Japan, in coherence with the missions of its traditional host institution, the ICTP.

This event took place at the ICTP Leornado Building in the Budinich Hall. The format included 24 (long) oral presentations given by invited speakers and a total of 110 poster presentations. The workshop was attended by a total of 240 participants (including directors and speakers) from 27 countries.

Read the full report.

Psi-k Workshop Funding 2020 – only 2 days left to submit!

*** FINAL CALL*** There are only 2 days remaining to submit your funding pre-proposals for workshops between 1 April 2020 and 31 March 2021. The deadline for pre-proposals is this Friday, 30 August!

Herewith we solicit for proposals for activities in the field of electronic-structure theory and calculations to be held between 1 April 2020 and 31 March 2021, to be funded (in full/partially) by the Psi-k Network and Charity.

Please note: for this year only events that take place between mid-August and mid-October 2020 will NOT be considered for funding to avoid a clash with the Psi-k Conference that will take place in Lausanne, September 2020.

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 30 August 2019 (midnight CEST), describing the planned event. The working groups (http://psi-k.net/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. Continue reading Psi-k Workshop Funding 2020 – only 2 days left to submit!

Psi-k 2020 Conference – First Announcement

As many of you know, every five years Psi-k organizes a general conference in its field; the next one will be held at EPFL in Lausanne, on Sep 14-17 2020. It’s the sixth in the series, after San Sebastian (2015), Berlin (2010) and Schwaebisch-Gmuend (2005, 2000, 1996). The last two events had more 1000+ participants each, making this the largest event worldwide in first-principles simulations, theory, and applications.

The conference will take place over 3.5 days, starting in the afternoon of Mon Sep 14, 2020, and will see 7 plenary speakers and more than 120 invited and 240 talks, organized around 42 symposia (and, of course, a MAD evening to shake it all off). All up-to-date information can be found at https://www.psik2020.net; registration will open in November 2019, so for the moment hold this date. Hotels listed are already ready to take bookings at the negotiated rates.

In conjunction with this announcement, we are also issuing a worldwide call to suggest thematic symposia for the conference – each symposium will last between 2 and 3 hours, and cover between 2 and 4 invited presentations (30 min each), and between 2 and 6 contributed presentations (15 min each), that will be chosen by the symposium organizers themselves among the abstracts submitted (deadline for all abstract submissions will be May 1, 2020).

In order to make a suggestion for a symposium, you need to have a group of up to 4 organizers, as broad and as diverse as possible, identify a symposium theme (keeping in mind that 16 symposia will be broadly dedicated to the core activities of the 16 Psi-k working groups, https://psi-k.net/groups/) and suggest between 2 to 4 invited speakers. Organizers of approved symposia will also be in charge, in May 2020, of selecting contributed talks (2 to 6) among all the abstracts submitted to the symposium by Psi-k 2020 participants.

The Psi-k 2020 Program Committee will evaluate in October 2019 all the submitted suggestions – the criteria will be

  1. scientific merit, timeliness, and interest of the topic
  2. intellectual diversity and inclusiveness of the speakers
  3. scientific merit of the organizers
  4. responding to the Psi-k mission statement (http://psi-k.net/)

You can find the symposium suggestion form at the bottom right of https://www.psik2020.net/program, or directly here: https://forms.gle/Q4QaVxPZgYuANQwWA

Deadline for suggestions is Sep 8 2019, midnight CEST (central european summer time).

Looking very much forward to a successful Psi-k 2020, and to seeing you all in Lausanne.

Nicola Marzari
Chair, Psi-k