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Models play a significant role in the development of catalysts. However, they are constructed using a reductionist approach and this poses the question of their relevance for the comprehension of physical phenomenon.
Databases of computational results hold high promise for accelerating catalysis research. Still, many challenges remain and consensus on facets such as metadata, reliability and curation is crucial to transform the hype into an attractive technology.
Catalysis can contribute in many ways to achieving the UN Sustainable Development Goals. Here, the opportunities arising through the interplay of biomass valorization and distributed production approaches are discussed.
In this Editorial, we discuss recent advances and challenges in the field of biocatalysis and introduce some relevant work you will find in this issue of Nature Catalysis.
This year marks a century since the pioneering work leading to what is now known as the Rosenmund reduction. We celebrate this landmark, reflecting upon the evolution of synthetic methodologies for reductive aldehyde synthesis from carboxylic acid derivatives and highlighting modern, improved strategies.
Catalysis research has immensely benefited from the use of high-performance computing facilities. On the occasion of the twenty-fifth anniversary of the first Top500 list, we briefly revisit its content and evolution and the impact that supercomputers have had in catalysis.