Computer Science - Computational Engineering

Hierarchical planning-scheduling-control -- Optimality surrogates and derivative-free optimization
Planning, scheduling, and control typically constitute separate decision-making units within chemical companies. Traditionally, their …
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Machine Learning-Assisted Discovery of Novel Reactor Designs
Additive manufacturing has enabled the fabrication of advanced reactor geometries, permitting larger, more complex design spaces. …
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The Automated Discovery of Kinetic Rate Models -- Methodological Frameworks
The industrialization of catalytic processes is of far more importance today than it has ever been before and kinetic models are …
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Deep Gaussian Process-based Multi-fidelity Bayesian Optimization for Simulated Chemical Reactors
New manufacturing techniques such as 3D printing have recently enabled the creation of previously infeasible chemical reactor designs. …
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