title: Strategies for high throughput, templated zeolite synthesis
abstract: The design and redesign of high throughput experiments for zeolite synthesis are addressed. A model that relates materials function to the chemical composition of the zeolite and the structure directing agent is introduced. Using this model, several Monte Carlo-like design protocols are evaluated. Multi-round protocols are bound to be effective, and strategies that use a priori information about the structure-directing libraries are found to be the best
keyphrases: templated zeolite synthesis materials function chemical composition structure directing agent Monte Carlo-like design protocols multi-round protocols a priori information high throughput strategies catalytic activity catalytic selectivity organo-cation template molecules combinatorial methods random energy model figure of merit material discovery small molecule design Voronoi diagram phase-dependent random Gaussian variables Metropolis-type method ligand libraries reflecting boundary conditions