EMMC 2023 – 4th EMMC International Workshop

Session 2

Prediction or interpretation or speed-up or … – what makes materials modelling valuable?

Digitalisation has been at the heart of computer simulations of materials and molecules ever since such methods were invented more than half a century ago. But materials modelling can achieve so much more: prediction of new materials and functionalities, interpretation, characterization, speedup, “understanding”, …

In this session we will discuss the virtues and hurdles of materials modelling and its likely future impact in different application fields. How valuable are really all those capabilities listed above to industry and society? Will data-driven approaches rule, and physics-based rules decline? Is materials modelling results trusted today – by industry, by experimental academicians?

The session will focus on modelling at the electronic, atomistic and nano-scale levels but how to link them to the more macroscopic scales and to the real world is also central.

Session 3

Materials Data Spaces, technologies and implementations

Within materials, a common digital ecosystem ensuring semantic interoperability between enabling technologies has been identified as one of the cornerstones for the Twin Green and Digital Transition. This includes formalisation the representation of data and knowledge in a machine-interpretable form.

The scope of this session is to bring key stakeholders (e.g., from EOSC, FDO Forum, PMD) together with EMMC ASBL to foster wider collaborations and ensure alignment of developments in the future. The impulse talks will make technology concrete, illustrating how practitioners can make use of digital technologies, recommended practices, and interoperability standards. In our discussions we will explore how to proceed from individual actions toward a more coherent and harmonised system.

Session 4

Characterisation as accelerator on advanced physics-based modelling; from product development to Use-Cases

The Modelling and Characterisation session aims to shed light on current state-of-the-art developments in the field of integrated and validated characterisation and modelling suites for manufacturing.

This session will be led by EC-funded projects and end-users success stories that brought solutions to the European market from the product development phase to the final validation/application.

In addition, the session will include a plenary discussion on the challenges and opportunities arising in Mechanical modelling and demonstrators’ testing/validation, which is an important aspect of product performance assurance prior to entering the market.

This session will make clear how close we are and how we can overcome contradictory modelling/characterization outcomes, opening the path to new strategies for making the industry more resilient, saving resources ,and accelerate the time-to-market of end-products.

Session 5

Software as part of the Knowledge Value Chain: From Thermodynamics EoS to AI driven ChemInformatics

The Software Focus Area aims at motivating, facilitating, and promoting the transfer of software for computational materials science into ready-to-use tools for industry and provides a forum for both software developers and users.

The session’s focus is on success stories (from academic and industrial R&D) that demonstrate the added value of Materials Modelling to industry and society (The Value of Materials Modelling), and on key factors and business models to foster industrialization and societal/environmental impact.

The speakers of this session will contribute to one or both topics from their background and expertise to give an overview of current developments as well as future perspectives.

All session speakers and attendees are invited to share their evolving requirements for materials modelling software. The EMMC2023 conference session aims to provide a collaboration space for R&D actors and users to engage in advancing materials modelling and application, exchanging best practices and sustainability strategies.

Session 6

European and national policy developments

The close link between societal challenges, as for example expressed in the Twin Green and Digital Transition, and the design, development, use and re-use of materials the topics of EMMC 2023 has been widely discussed. As expressed in the theme of EMMC 2023, materials and digitalisation are two core and closely interlinked aspects of the Green Transition and the EU Strategic Autonomy. Each on its own comes with big challenges such as how humanity uses and today often wastes materials resources, and how digital technologies can be utilised advantageously.

The need for uniting materials and digital competences and capabilities have been recognised in a wide range of  policies and initiatives at national, European and international levels, in Europe most prominently by the Advanced Materials Initiative 2030.

This session will discuss the policy landscape from a European, national and international perspectives to highlight challenges, opportunities and required actions, contributing to an update of the EMMC Roadmap.