Catalysis applications

[Patrick Kidd]

Related to catalysis, many different properties need to be explored when optimising. Electronic properties like electronegativity, electronic structure, acid, base, and redox interactions. And kinetic properties like stereochemistry, product, intermediate, and reactant adsorption and desorption, and many more properties need to be optimised to result in the most active, stable and cost-effective catalyst. Through using computational “design of new materials through thought” this process, traditionally undertaken via trial and error based on experience or previous experimental work, could be completed fast and cost effectively.

[Author]

Posts