Chemical Engineering PhD Student @ UW
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learning_fluxflux_kinetics
learning_fluxflux_kinetics PublicThis is the accompanying code and data for the paper, "Machine learning the quantum flux-flux correlation function for catalytic surface reactions" (https://arxiv.org/abs/2206.01845). The goal of t…
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pozzo-research-group/designspacediscovery
pozzo-research-group/designspacediscovery PublicCheminformatics workflow to find new candidate compounds with desired properties
Python
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