INTERSECT |

“Modeling Materials at realistic space and time scales via optimal exploitation of exascale computers and AI” CECAM workshop – November 1-3, 2021

D.C. — Thu, 01 Jul 2021 11:45:01 +0000

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.

MaX School with Quantum ESPRESSO – May 17-28, 2021

D.C. — Fri, 09 Apr 2021 08:52:28 +0000

MaX (MAterials design at the eXascale), the European Centre of Excellence enabling frontier HPC in the materials demain, organizes a school on Advanced Materials and Molecular Modelling with Quantum ESPRESSO on May 17-28, 2021, in collaboration with Cecam.

The school will introduce students and young researchers to materials and molecular modelling with Quantum ESPRESSO (QE), covering basic concepts, recent advances and developments, with emphasis on density-functional-theory (DFT) based methods and High-Performance Computing (HPC).

Quantum ESPRESSO is one of the open-source materials modeling codes integrated in our INTERSECT IM2D, Interoperable Material-to-Device, Simulation Box (read more on our industry section).

Deadline for registration to the MaX School is April 30, 2021. More information can be found at http://www.max-centre.eu/news-events/max-school-advanced-materials-and-molecular-modelling-quantum-espresso.

EMMC Roadmap for Materials Modelling and Digitalisation of Materials Science

D.C. — Fri, 20 Nov 2020 11:00:00 +0000

The European Materials Modelling Council (EMMC) has just published the “Roadmap for Materials Modelling and Digitalisation of the Materials Science” 2020. The Roadmap 2020 acknowledges the significant progress that has been made over the past years, but equally identifies gaps and provides direction for achieving the vision of an agile European industry with intelligent enterprises that maximise the opportunity of materials modeling and digitalisation of materials.

Executive summary: Following the 2016 and 2018 editions, the EMMC Roadmap is the culmination of five years of knowledge‐ and experience‐gathering, by the EMMC, on the needs of European materials industry in the modelling field. The EMMC Roadmap acknowledges the significant progress that has been made over the past years, but equally identifies gaps, and provides direction for achieving the ultimate vision of: Having an agile European materials industry with intelligent enterprises that maximise and integrate the utility of digital materials sciences knowledge.
The future success of a European manufacturing industry depends on remaining innovative and competitive in a global economy. Modellers, materials data scientists, software owners and translators need to be aware of their interdependence and become enabled with the necessary tools to achieve the vision for the European manufacturing industry.
In the Roadmap, the key topical areas that can maximise the impact of materials modelling and digitalisation of materials sciences for industry have been critically assessed. For each, the current shortcomings, in relation to identified industry needs, are defined in detail as to the state of the art and the remaining gaps. Recommendations for actions are made to overcome the gaps. Successful follow up actions can thus lead to a positive advancement of materials modelling and contribute to the overall ambition of establishing a strong and agile materials related industry in Europe. Many aspects need considering both on a technological and an organisational level, which requires talented people in multiple disciplines. Making it happen becomes a complex interplay between the required materials modelling toolbox (content), how modelling is made available and readily accessible (framework), and how both can be used to address the defined needs (implementation) of European materials industry.

EMMC has also recently published a statement about on “Materials Modelling and Digitalisation: a core technology in a post‐COVID world“, elaborating some key points that underline the strategic importance of materials modelling and digitalisation as key enablers of solutions to societal challenges in European post‐COVID society.

EMMC Roadmap 2020 info & download: https://emmc.eu/news/emmc-roadmap-2020/.
EMMC statement info & download: https://emmc.eu/news/emmc-covid-19-statement/

European Materials & Modelling Ontology (EMMO) Workshop

M.B. — Mon, 10 Feb 2020 17:08:39 +0000

On the 27th of February 2020, the Fraunhofer IWM in collaboration with the EU Projects MarketPlace, SimDOME, INTERSECT, ReaxPro, APACHE, FORCE, OYSTER, VIMMP MarketPlace…) and EMMC ASBL is organising the second EMMO networking event in Freiburg, Germany.

Deadline for registration: 20th February 2020 | Registration form
Please note that the and attendance is limited to 40 participants.

More info and Preliminary Agenda