Inaugural Initiatives Drive Progress in AI for Sustainable Molecules and Materials at the University of Amsterdam

TL;DR:

  • University of Amsterdam’s Faculty of Science launches Research Priority Area (RPA) “Artificial Intelligence for Sustainable Molecules and Materials” (AI4SMM).
  • Four pioneering projects in AI4SMM aim to leverage machine learning for sustainable molecule and material design.
  • Projects cover diverse areas such as metamaterials for sustainable steel, salt hydrates for thermal energy storage, simplifying chemical additives for sustainable plastics, and machine learning models for plant-based food design.
  • Program director Dr. Bernd Ensing plans to expand partnerships and funding over the two-year project timeline.
  • The invitation extended to the ChemAI event on November 16, 2023, to engage with AI4SMM researchers and industry representatives.

Main AI News:

The University of Amsterdam’s Faculty of Science has embarked on a transformative journey with the launch of its Research Priority Area (RPA) – “Artificial Intelligence for Sustainable Molecules and Materials” (AI4SMM). This groundbreaking program, at the intersection of computer science and sustainability research, is committed to harnessing the power of machine learning to shape a sustainable future through the innovative design of molecules and materials. The program’s maiden voyage includes four ambitious projects, each a testament to the collaborative spirit and multidisciplinary focus of AI4SMM.

Dr. Bernd Ensing, the program director, expresses his enthusiasm for the selected projects, which align seamlessly with AI4SMM’s overarching goals and unite research groups across different institutes within the Faculty. These projects span a wide spectrum, encompassing the development of metamaterials for sustainable steel, the design of salt hydrates for energy storage, the screening of additives for sustainable plastics, and the exploration of plant protein mixtures for sustainable food design. These endeavors mark the dawn of an exciting era in research and development within the Research Priority Area.

The AI4SMM projects, meticulously chosen, will unfold over a span of two years, during which Dr. Ensing intends to extend the program’s reach by forging partnerships with external collaborators and securing additional funding. For those eager to engage with AI4SMM researchers and be part of the next phase of this groundbreaking initiative, an invitation is extended to attend the ChemAI event scheduled for November 16, 2023. This event promises to showcase successful applications of machine learning in the chemical and pharmaceutical industry, offering opportunities to interact with academic and business representatives alike.

Project Insights: AI-Enabled Metamaterials for Sustainable Steel

Within the AI4SMM program, the Institute of Physics and the Institute of Informatics have joined forces to pioneer the development of deep learning techniques aimed at expediting the computational design of dissipative metamaterials. These metamaterials hold the promise of revolutionizing the production of sustainable steel by optimizing critical factors such as yield strength and energy absorption while minimizing carbon footprint. The ultimate goal is to usher in a new era of technology where sustainability and performance are harmoniously balanced.

Project Spotlight: Salt Hydrates for Sustainable Thermal Energy Storage

In another pioneering venture, researchers from the Institute of Physics, Van ‘t Hoff Institute for Molecular Sciences, and Institute of Informatics are exploring the potential of salt hydrates as a means of thermal energy storage (TES). This innovative approach seeks to contribute significantly to the transition towards sustainable energy sources. Salt hydrates, with their high energy density and reversible dehydration/hydration reactions, have the potential to reduce energy costs and alleviate peak power demand. The research team aims to enhance efficiency, utilization, and longevity while simultaneously reducing capital expenses. The development of tunable and durable salt hydrates could catalyze their widespread adoption across industries and society.

Project Breakdown: Simplifying Chemical Additives for Sustainable Plastics

Addressing the pressing need for sustainable plastics, a collaborative effort between the Van ‘t Hoff Institute for Molecular Sciences, Institute for Biodiversity and Ecology Dynamics, and Institute of Informatics is leveraging data-driven methodologies. Their goal is to streamline the complex landscape of chemical additives used in plastics, ultimately supporting the creation of Safe-and-Sustainable-by-Design (SSbD) polymeric materials. This transformation is crucial as the current array of additives, with their diverse functions, poses safety concerns and impedes effective recycling. A Graph Neural Network (GNN) model will be developed to categorize chemical additives into SSbD classifications based on their 3D molecular structures, providing a vital roadmap for the production of more sustainable plastics.

Unveiling the Future: Machine Learning Models for Sustainable Plant-Based Foods

The AI4SMM initiative takes a bold step towards enhancing sustainability in the food industry by focusing on plant-based protein mixtures. A collaborative effort spanning multiple institutes, including the Van ‘t Hoff Institute for Molecular Sciences, Institute of Physics, Institute of Informatics, and Swammerdam Institute for Life Sciences, aims to employ machine learning to predict the structure, aggregation, and rheological behavior of complex protein mixtures found in plants. Key plant proteins like RuBisCo, pea, and potato proteins hold the potential to replace animal proteins in a sustainable manner. The development of a transferable colloidal model, driven by artificial intelligence, will accelerate the design of sustainable, plant-based protein mixtures, contributing to a healthier and environmentally conscious food production pipeline.

Conclusion:

The University of Amsterdam’s AI4SMM program heralds a promising future where artificial intelligence, sustainability, and innovation converge to shape a world where sustainable molecules and materials pave the way for a brighter, eco-conscious tomorrow. With these four pioneering projects at its helm, AI4SMM is poised to make a significant impact on various industries and contribute to a more sustainable and prosperous future for all.

Source