Recent work published in Nano Letters

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Our work with Masters Student Zihao Yan in the CANELa Lab was recently published in Nano Letters!

The image above highlights how the work can be used to calculate energetics of multimetallic nanoparticles utilizing bond-centric data. We were able to directly compare the results of this accelerated method to Density Functional Theory (DFT) calculations showing remarkable agreement!

The Python Code for the project can be found in this repository: BC_model.