Computing optimal programs for programmable catalysts using Bayesian optimization

doi:10.1016/j.compchemeng.2026.109919

Computing optimal programs for programmable catalysts using Bayesian optimization

2026-10-03

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DOI：10.1016/j.compchemeng.2026.109919

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Abstract

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• Present a frameworkto compute optimal programs for programmable catalysis. • Framework integrates techniques of optimal control and Bayesian optimization. • Framework allow us toidentifyoptimal programs for complex reaction networks and explorelimits of behavior of programmable catalysis.

Keywords:

Nonlinear optimization

Bayesian optimization

Programmable catalysis

Controls

Computing optimal programs for programmable catalysts using Bayesian optimization

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