ERC Consolidator Grant · 2016
Most of the developments in catalyst are still based on serendipitous and trial-and-error approaches, in which potential systems can be overlooked simply because of the sub-optimal conditions of the initial activity assessment. Mechanistic and kinetic studies could provide a framework for a more adequate assessment of new catalysts, but such rigorous experiments are not practical for general catalyst discovery. Modern chemical theory and computations hold a promise to be employed in new efficient theory-guided approaches for rational catalyst and process development. The main aim of DeLiCat is to formulate a hierarchical computational strategy for the design and synthesis of new…
From the public funding record at EU CORDIS. Describes the funded project, not the reviews below.