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pozzo-research-group/HEAD

8 stars2 forksJupyter NotebookAdded February 8, 2026
summary

This tool provides supporting code for optimizing the retrosynthesis of gold nanoparticles using Bayesian optimization techniques. It includes a simulator for generating target distributions and iteratively improves the synthesis process through optimization methods.

description

Supporting code for the "Autonomous retrosynthesis of gold nanoparticles via spectral shape matching" paper. DOI : 10.1039/D2DD00025C

topics

bayesian-optimizationdifferential-geometrymaterials-informaticsmaterials-scienceretrosynthesisself-driving-laboratories

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