Carbon is intrinsically abundant and renewable, being a central part of the life cycle. Raw material to synthesize valuable carbon-based materials can be sourced directly from plants, or even from atmospheric CO2. Enabling functionality in carbon materials to replace unsustainable materials would be a key enabler of the circular economy and a sustainable future for humanity. However, development of new materials is slow and expensive, and the challenge to make new carbon materials is huge: how do we navigate through the huge number of possibilities? ATCAR will take full advantage of recent advances in atomistic materials modeling enabled by machine learning to expedite the development of new carbon-based materials by guiding, complementing and explaining experimental results. We will work on the synthesis of new carbons under extreme conditions, develop our understanding of amorphous carbon materials, and take the first steps in mapping the complex chemistry of biomass conversion.

2023

2027