CECAM - Virtual Materials DesignVirtual Materials Design

Numerous technological advancements are driven by materials development, in fields as diverse as energy, environmental protection, information technology, or medicine and health. As a result, an acceleration of materials development can make a strong contribution to solving major societal challenges. Recognizing that virtual material design itself is emerging as one of the grand challenges in the research field 'information' of the Helmholtz association, we have established a joint virtual materials design laboratory which synergistically combines the expertise of more than 60 researchers from four national labs (Hereon, HZB, FZJ, KIT).

Following up on the previous CECAM workshop in 2021, this flagship event aims to address present challenges in the design of complex high-technology products and to establish new information-based materials development strategies to fulfill the requirements of the economy of the 21st century. In order to achieve this goal, the traditional unidirectional process of product development (new materials –> new components –> new products) needs to be replaced by an inverse design of tailor-made new materials and device components based on specific system and device requirements.

As a result of decades of method development and continuously increasing computational power, the possibility of a paradigm shift has emerged, in which the still indispensable experimental materials research driven by trial and error, is complemented by computer-based approaches to systematically design novel materials. In order to go beyond the current limitations of virtual materials design, we want to address the following critical issues:

Concepts for the computational realization of digital twins
Tackling the size of chemical spaces beyond exhaustive search
Integrating experiment on the fly and autonomous discovery
Machine learning applications beyond electronic structure
The synthetic challenge: how can the proposed materials be made?
Integration of processing challenges into materials design
Adaptation of parameters in scale-bridging workflows in materials science

A detailed program can be found in the 'Program' tab.

Information for participants:

The extended deadline for registration has expired on May 22nd. All participants will receive more detailed information via email.

Virtual Materials Design

Karlsruhe Institute of Technology

Organisers

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