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Filtering by: Committee Member Wager, John Creator Mustard, Thomas J. L.

Computational Investigations of Transition Metal Catalyses and Amorphous Metal Oxides : Accelerating Scientific Discovery Through Automation

Creator:

Mustard, Thomas J. L.

Abstract:

Automation of computational chemistry, while only an engineering feat, has the potential to accelerating computational research be removing all by the science. The work in this thesis mainly discusses fundamental understanding of complex chemical systems. What is not obvious are the numerous tasks necessary for this fundamental understanding. Under the...

Resource Type:

Dissertation