Opendata, web and dolomites

Materials 4.0 SIGNED

Advancing materials design by high-accuracy finite-temperature first principles calculations accelerated by machine learning potentials

Total Cost €


EC-Contrib. €






Project "Materials 4.0" data sheet

The following table provides information about the project.


Organization address
postcode: 70174

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Germany [DE]
 Total cost 2˙000˙000 €
 EC max contribution 2˙000˙000 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2019-COG
 Funding Scheme ERC-COG
 Starting year 2021
 Duration (year-month-day) from 2021-01-01   to  2025-12-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITAET STUTTGART DE (STUTTGART) coordinator 2˙000˙000.00


 Project objective

Phase diagrams have revolutionized materials development by providing the conditions for phase stabilities and transformations, and thereby a thorough thermodynamic understanding of materials design. However, the majority of today’s phase diagrams are based on scarce experimental input and often rely on daring extrapolations. Every multicomponent phase diagram relies on a fragile set of phase stabilities as very recent studies show.

Materials 4.0 will change this. It will raise materials design to the next level by providing a highly accurate first principles thermodynamic database. First principles, alias ab initio, approaches do not require any experimental input and can operate where no experiment is able to reach. However, they have been limited to zero Kelvin or low temperature approximations which are not representative of phase diagrams.

Materials 4.0 reaches far beyond this by utilizing my unique expertise in high-accuracy finite-temperature ab initio simulations. We will develop novel methods accelerated by machine learning potentials that facilitate a highly efficient determination of Gibbs free energies and migration barriers including all relevant finite-temperature excitation mechanisms. The methodology will be implemented in an easy-to-use open-source integrated development environment and made accessible to the community.

Materials 4.0 will consider materials relevant to current scientific developments and of technological interest, such as hydrides, lightweight alloys, superalloys, MAX phases, and high entropy alloys. A large ab initio thermodynamic database will be computed for elements across the periodic table. The main focus will be on phase stabilities of various phases, including dynamically unstable ones, and importantly liquids as well; all fully from ab initio. The phase stabilities will be put into practice by re-parametrizing binary phase diagrams and studying the implications on multicomponent phase diagrams.

Are you the coordinator (or a participant) of this project? Plaese send me more information about the "MATERIALS 4.0" project.

For instance: the website url (it has not provided by EU-opendata yet), the logo, a more detailed description of the project (in plain text as a rtf file or a word file), some pictures (as picture files, not embedded into any word file), twitter account, linkedin page, etc.

Send me an  email ( and I put them in your project's page as son as possible.

Thanks. And then put a link of this page into your project's website.

The information about "MATERIALS 4.0" are provided by the European Opendata Portal: CORDIS opendata.

More projects from the same programme (H2020-EU.1.1.)

SUExp (2018)

Strategic Uncertainty: An Experimental Investigation

Read More  

InsideChromatin (2019)

Towards Realistic Modelling of Nucleosome Organization Inside Functional Chromatin Domains

Read More  

HyperBio (2019)

Vis-NIR Hyperspectral imaging for biomaterial quality control

Read More