INTERSECT | https://intersect-project.eu Interoperable Material-to-Device simulation box for disruptive electronics Mon, 07 Mar 2022 09:13:40 +0000 en-GB hourly 1 https://wordpress.org/?v=7.1 #jobposition Materials Cloud Software Engineer/Web Developer @EPFL https://intersect-project.eu/jobposition-materials-cloud-software-engineer-web-developer-epfl/ Wed, 06 Oct 2021 09:34:42 +0000 https://intersect-project.eu/?p=2827 Our INTERSECT partner EPFL (Lausanne – Switzerland) is looking for a Software Engineer/Web Developer under the supervision of our intersecter Prof. Nicola Marzari and of Dr. Giovanni Pizzi. The position is renewable yearly up to 4 years.

Outstanding candidates are sought with a background in the physical sciences, engineering or computer science, with strong programming skills, and with experience in the development of web architectures powered by cloud technologies.

The position will focus on research case studies for the existing Materials Cloud platform, with primary focus on both the portal frontend development and deployment, as well as support for the backend development.

The software engineer would work with a team of 10+ PhD students, postdocs, and software specialists with diverse backgrounds contributing both to AiiDA and the Materials Cloud, joining an exciting and very driven international team at the forefront of research in the field of materials discovery and design. For interested applicants, scientific research challenges can also be incorporated in the effort (but this is not a requirement).

The successful candidate will join the multidisciplinary group of Nicola Marzari leading the pan-Swiss materials consortium MARVEL, the work-package on convergence of HPC, high-throughput computing and high-performance data analytics of the H2020 MaX Centre of Excellence, and involved in several international projects, such as our H2020 INTERSECT, the H2020 BIG MAP project, the H2020 OpenModel and DOME 4.0 projects, and the swissuniversities P-5 “Materials Cloud” project.

For best consideration, applications should be submitted by Oct 31st, 2021; the positions will remain open until suitable candidates have been found.

For more details, visit our open positions page: https://intersect-project.eu/open-positions/

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“Modeling Materials at realistic space and time scales via optimal exploitation of exascale computers and AI” CECAM workshop – November 1-3, 2021 https://intersect-project.eu/modeling-materials-at-realistic-space-and-time-scales-via-optimal-exploitation-of-exascale-computers-and-ai-cecam-workshop-november-1-3-2021/ Thu, 01 Jul 2021 11:45:01 +0000 https://intersect-project.eu/?p=2492 On November 2, 2021, 3.50 pm, our PI Nicola Marzari from EPFL will give a speech about “Exascale challenges in low dimensional materials” during Session 3., Challenges in atomistic Modeling, of the CECAM Flagship workshop “Modeling Materials at realistic space and time scales via optimal exploitation of exascale computers and AI”, organized by NOMAD and E-Cam.

The workshop, in a hybrid format, will take place in Lousanne from November 1 to November 3, 2021, and will focus on recent important developments addressing exascale computing and artificial intelligence (AI) methods, with a specific focus on urgent topics of materials science. In particular, it will address how exascale computing can help materials modeling in terms of higher accuracy and precision and more controlled scale bridging. It will also discuss advancements of AI methods and exascale workflows, and will comprise lectures from top HPC centers from Europe, USA, Japan, and China.

For information and registrations, visit https://nomad-coe.eu/events/nomad-e-cam-workshop and https://www.cecam.org/workshop-details/1037.

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Novel Materials Discovery, The Marvel of Computational Science – June 22, 2021 https://intersect-project.eu/novel-materials-discovery-the-marvel-of-computational-science-june-22-2021/ Mon, 21 Jun 2021 08:34:09 +0000 https://intersect-project.eu/?p=2463

On June 22, 2021, our PI Nicola Marzari from EPFL, director of NCCR MARVEL, will discuss about the new materials discovery during the second edition of nexFrontier series, “Novel Materials Discovery – The Marvel of Computational Science” organized by SwissNex, together with Prof. Clemence Corminboeuf from the Computational Chemistry division at EPFL, Prof. Xingao Gong, Academician of the Chinese Academy of Science, Computational Condensed Matter Physicist, and Professor of Fudan University, and Prof. Peng Wang from Beihang University.

In the specific, Prof. Nicola Marzari will share the great acceleration in materials discovery enabled by quantum-mechanical simulations.

The online event will last from 10:00 am to 11:10 am (UTC +2).

For information and registration, visit https://swissnex.org/china/event/nexfrontier-novel-materials-discovery-the-marvel-of-computational-science/.

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Austrian-Slovenian HPC Meeting – May 31 / June 2, 2021 https://intersect-project.eu/austrian-slovenian-hpc-meeting-may-31-june-2-2021/ Thu, 27 May 2021 09:00:00 +0000 https://intersect-project.eu/?p=2447 The Austrian-Slovenian HPC Meeting (ASHP21) focuses on recent developments and trends in terms of efficient and successful high-performance computing  (HPC) applications. Several aspects of state-of-the-art topics in the field are presented and discussed.

The meeting will take place online from May 31 to June 2, 2021, and provides an opportunity to make use of inherent synergies and foster exchange of knowledge and ideas to promote fruitful collaborations thus enhancing sustainable HPC development.

Our intersecter Nicola Marzari from EPFL will be one of the keynote opening speakers on May 31 (9,15 am), with a speech about “Materials discovery at the intersection between high-performance and high-throughput…“.

ASHPC21 is organized by the Slovenian consortium for high performance computing (SLING) and the Institute of Information Science in Maribor (IZUM), Slovenia, in cooperation with the Research Area Scientific Computing in Innsbruck, Austria, and the Vienna Scientific Cluster (VSC), Austria. It is a follow-up meeting of AHPC20.

Participation is free of charge. For more information, visit https://ashpc21.si/.

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WORLD SCIENCE DAY – 10th of november 2020 https://intersect-project.eu/world-science-day-10th-of-november-2020/ Mon, 09 Nov 2020 13:50:19 +0000 http://intersect-project.eu/?p=1611 Tomorrow, 10th of November 2020, is the World Science Day for Peace and Development promoted by UNESCO. The celebration highlights the significant role of science in society and the need to engage the wider public in debates on emerging scientific issues. It also underlines the importance and relevance of science in our daily lives. By linking science more closely with society, the World Science Day for Peace and Development aims to ensure that citizens are kept informed of developments in science. It also underscores the role scientists play in broadening our understanding of the remarkable, fragile planet we call home and in making our societies more sustainable.

The day offers the opportunity to mobilize all actors around the topic of science for peace and development. With this intent, our #intersecter Nicola Marzari from EPFL will take part to a national Italian event called “I love scienza” organized by Fondazione De Sanctis. The round table will take place tomorrow from 1,00 p.m. to 2,00 p.m. and will include many important scientific contributions.

For info about the Italian “I love scienza” event, visit https://ilovescienza.org/.
For info about the UNESCO’s World Science Day, visit https://www.un.org/en/observances/world-science-day.

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INTERSECT MEETING in Lausanne https://intersect-project.eu/intersect-meeting-in-lausanne/ Fri, 10 Jan 2020 10:28:07 +0000 http://intersect-project.eu/?p=911 It’s time to meet again!

On Monday February 10 and Tuesday February 11, 2020 the INTERSECT partners will meet in Lausanne, hosted by EPFL, to define the next activities on: interoperability interfaces, GUI design, atomic defect properties + dissemination and communication, risk assessment and mitigation.

Tentative agenda | pdf
Monday 10/02/2020 – from 14.00 to 19.00 (approximately) + social dinner (@Gina Restaurant on EPFL Campus)
Tuesday 11/02/2020 – from 9.00 to 13.00 (approximately)

The meeting will take place @MED Building of EPFL Campus | interactive mappdf map for download

How to get around in Lausanne (very useful info from the Local Organizers)

Registration Form

Venue  

École Polytechnique Fédérale de Lausanne
EPFL CH-1015 Lausanne

Group photo @EPFL

How to reach EPFL

Where to stay | HOTELS suggestions

on-campus (both 5 mins from the department):
Starling Hotel | Route Cantonale 31 CH-1025 Saint-Sulpice +41 21 694 85 85 contact@shlausanne.ch
SwissTech Hotel | Route Louis Favre 10B CH-1024 Ecublens +41 21 694 06 10 sth@epfl.chor

in town (these have fluctuating rates, the sooner one books the better):
Alpha Palmiers | Rue du Petit-Chêne 34 CH-1003 Lausanne +41 21 555 59 99 ap@byf.ch
Agora Swiss Night | Av. du Rond-Point 9 CH-1006 Lausanne +41 21 555 59 55 asn@byf.ch
Hotel Lausanne | Rue Marterey 15 CH-1005 Lausanne +41 21 601 80 00 l@byf.ch
Swiss Wine | Rue Caroline 5 CH-1003 Lausanne +41 21 320 21 41 sw@byf.ch

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Tutorial on writing reproducible workflows for computational materials science https://intersect-project.eu/tutorial-on-writing-reproducible-workflows-for-computational-materials-science/ Mon, 18 Mar 2019 09:44:43 +0000 http://intersect-project.eu/?p=666 AiiDA tutorial on writing reproducible workflows for computational materials science (online materials)
Tutorial materials: https://aiida-tutorials.readthedocs.io/en/latest/
Videos: https://www.youtube.com/playlist?list=PL19kfLn4sO_-QtPaHAA8KByFluT2vvlG
Website: www.aiida.net

Coordinates

When May 21st, 2019 (9:00) until May 24th, 2019 (13:00)

Where EPFL, Lausanne, Switzerland

Registration Registration link
(closed March 24th, 2019 for people asking financial support; a few spots are still open so you can still register until April 14th; acceptance subject to place availability) )

About

This 3.5-day tutorial is designed to get Master students, PhD students and Postdocs from the field of computational materials science started with writing reproducible workflows. Participants will be introduced to the state of the art in workflow management and high-throughput computations by experts in the field, and gain in-depth hands-on experience using a tool that they can directly apply to their own research.

Our tool of choice is the AiiDA framework for workflow management and provenance tracking, which is backed by a significant community of users and developers, and has interfaces to more than 20 materials science codes (see plugin registry), including to the ab initio codes Quantum ESPRESSO, VASP, cp2k, Castep, Siesta, Fleur, Crystal, NWChem, Wannier90, and Yambo. AiiDA’s permissive open source license (MIT) enables participants to use it both in academic and commercial settings. By virtue of its general design and flexible plugin system, AiiDA is easily extended to new codes and new use cases.

  • The first day will serve as an introduction to AiiDA for novices,  and is designed to be skipped by participants with previous AiiDA experience (as determined by an online questionnaire during registration). 
    In order to avoid losing time on installation issues, participants will have the option to connect to virtual machines preconfigured with AiiDA (or to come with AiiDA already installed on their laptop).
  • The remaining 2.5 days will include the highlight talks by the invited speakers as well as in-depth tutorials on writing AiiDA workflows, given by the organizers and six core developers of AiiDA. An online questionnaire will determine the ab initio codes used by participants, and we aim to cover 3 popular codes with explicit examples. 
    On the third day, participants will have the choice to either explore advanced aspects of workflow management or to focus on designing a new AiiDA plugin.
  • Discussion sessions, as well as a poster session and an open-mic session are scheduled to foster interaction between the participants, to discuss and answer questions.

While this tutorial is deliberately open to computational materials scientists at many levels, we do require the following  for participation:

  • familiarity with a Unix operating system and the bash shell (or equivalent)
  • familiarity with python
  • familiarity with a job scheduler (e.g. slurm, torque, sge, …)
  • full participation for (at least) the last 2.5 days

Speakers & organisers

The following invited speakers will illustrate the use workflows in their research using a recent example, highlighting both the challenges encountered and possible solutions.

  • Stefaan Cottenier (UGent, BE)
  • Marco Govoni (ANL, US)
  • Fawzi Mohamed (FHI, GE)
  • Guido Petretto (UC Louvain, BE)

Tutorial lectures and assistance during hands-on session will be provided by a team of core AiiDA developers and active plugin developers:

  • Espen Flage-Larsen (SINTEF, No)
  • Andrea Ferretti (CNR, Istituto Nanoscienze, IT)
  • Alberto Garcia (ICMAB-CSIC, ES)
  • Sebastiaan Huber (EPFL, CH)
  • Leopold Talirz (EPFL, CH)
  • Giovanni Pizzi (EPFL, CH)
  • Spyros Zoupanos (EPFL, CH)
  • Aliaksandr Yakutovich (EPFL, CH)
  • Snehal Kumbhar (EPFL, CH)

The tutorial is organised by Leopold Talirz (EPFL, CH), Sebastiaan Huber (EPFL, CH), Espen Flage-Larsen (SINTEF, NO), Alberto García (ICMAB, ES) and Andrea Ferretti (CNR, IT) who bring expertise in a diverse set of ab initio codes and their applications in different work environments (universities, research institutes and companies).

For generic information concerning the tutorial, contact aiida.workflows2019@gmail.com .

More info

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