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The climate emergency and the global COVID-19 pandemic have shown the urgency for accelerating cycles of scientific discoveries. Tools such as artificial intelligence, high performance computing and robotic automation are revolutionizing these scientific discovery cycles, breaking longstanding bottlenecks.

Many of today’s scientific and societal challenges require new materials or molecules with specific properties, whether it concerns advances in instrumentation for basic research or in applications for health care, the energy transition, circularity or mitigating climate change. At the Faculty of Science we are in the unique position to both develop and apply technology to speed up the scientific discovery cycle and to subsequently use such cycles in technological research to design new molecules and materials with potential strong impact in current societal challenges.

That is why we initiate the Molecular and Material Design (MMD) Technology hub.

Our ambition is to deploy and strengthen technology-driven acceleration in the discovery process within the Faculty of Science, delivering technological solutions in both the Health and Green research themes and addressing the Sustainable Development Goals and the objectives of the EU GreenDeal. We leverage our expertise in Pure and Smart research themes to accelerate and create impactful molecular and material design as the focus area for our Technology profile.

To embrace our technological potential, the Faculty of Science will invest in this initiative at four levels:

  • Build a thriving community that explores new opportunities and capabilities within the Faculty and its partners;
  • Team up experimentalists, theoreticians, data scientists, modelers, and technicians around research topics that contribute to molecular and material design;
  • Permit a seamless access to state-of-the-art computational infrastructure with expert support;
  • Enhance the experimental facilities for the generation and deployment of high-throughput data.

Unique combination of science expertise

By establishing the MMD hub, we will combine our long-standing expertise in chemistry, physics and the life sciences with our strengths in AI and computational data, and quantum information sciences and quantum sensing and quantum computing. Such unique combination of expertise in eight Faculty institutes represents a strong interdisciplinary research ecosystem that offers great potential for highly disruptive science and technology.

This expected impact will enable us to:

  • Strengthen our unique position at the science–technology interface;
  • Enlarge our external funding opportunities;
  • Originate consortium leadership possibilities;
  • Enhances the collaboration with public and private partners;
  • Make the UvA/Faculty of Science a transformative environment for future talent and collaboration.

MMD support schemes

The Molecular and Material Design hub consists of the following initiatives:

  • 1. MMD Community & Partnerships

    Building a vivid community is the primary ambition of the Molecular and Material Design Technology hub. Coordination and support actions for strengthening connections, visibility, and creating and nurturing the community with events and get togethers organized at a lively physical meeting place where MMD fellows, project leaders link up to stakeholders in Amsterdam and beyond.

    To this end there will be collaborations with eg. Sustainalab, where Faculty of Science researchers can meet and interact at a fixed moment in the week, located in Matrix One in close proximity of highly specialized labs at the various Faculty of Science institutes (IOP, HIMS, SILS, IBED). The MMD hub will seek strategic collaborations with major tech, chemical and material companies worldwide, and create public–private partnerships using e.g. the ICAI model as a best practice example, and will also build strong relationships within the Amsterdam Ecosystem both in education (e.g. with HvA, VU, UMC Amsterdam and AMOLF), in co-creation with companies located in the Amsterdam region, and in national and international consortia.

  • 2. MMD Impulse funding call

    The MMD Impulse call aims to establish and further strengthen emerging collaborations that combine theoretical, experimental, analytical/instrumentation and computational expertise in the field of molecular and material design. Small grants from 50-150 k€ each, directed towards combinations of tenured scholars, will help establish already emerging collaborations. The focus is on developing new ideas to a next phase, for instance by proof-of-concepts. The proposed research should focus on molecular and material design creating impact in the Faculty of Science themes Health and/or Green. Applications should contribute to accelerating change through initiatives that are not yet happening elsewhere in Faculty of Science and/or are not easily funded via other channels.

  • 3. MMD Compute

    By investing in a dedicated MMD compute support team we aim to empower researchers by providing them with the necessary infrastructure, tools, and expertise to efficiently collect, manage, analyze, and visualize data. By leveraging cutting-edge technologies and best practices in data engineering, this team aims to accelerate the research and enable breakthrough discoveries across various domains.

    The MMD compute support team will collaborate closely with researchers across various disciplines to understand their data needs and requirements. The team will also closely collaborate with the IT department and UvA Data Science Center to leverage existing infrastructure, resources, and expertise in implementing data engineering solutions. The mechanisms by which they will work is through a voucher system connected to MMD impulse or other projects

  • 4. MMD Data

    In MMD Data we aim for investments that contribute to closing ‘data gaps’ in the envisioned scientific discovery cycles. This could be to facilitate seamless and automated data extraction and sharing from highly specialized experimental infrastructure, relying as much as possible on standardized data formats, facilitating high-throughput data acquisition, and automatically feeding into downstream computational workflows. And vice-versa, to facilitate direct coupling of output from computational workflows to steer experiments, again in an automated fashion. This should lead to fully closed and automated high-throughput discovery cycles, but also to ‘data and workflow’ lakes that store all data, computational models, and workflows in dedicated repositories and facilitate their re-use.

    MMD Data will work closely together with MMD Compute. Investments in MMD Data still need to be specified but are will be in required infrastructure (e.g. software or hardware). Initiatives funded in the MMD Impulse program are expected to closely work together in the creation of standardized data types and to define and work towards the MMD data lake. A strong link to the UvA Data Centre is envisioned.

Contact

Do you want to know more about the Molecular and Material Design Technology hub, the call or collaborations?