Data for: Decision tree driven construction of rate constant models: Identifying the "top-N" environment atoms that influence surface diffusion barriers in Ag, Cu, Ni, Pd and Pt

Published: 24 June 2020| Version 1 | DOI: 10.17632/2xtzxwtcdf.1
Contributor:
Abhijit Chatterjee

Description

Artificial neural network model and cluster expansion models developed for exchange moves in Ag, Cu, Ni, Pd and Pt. Decision tree driven construction of rate constant models: Identifying the “top-N” environment atoms that influence surface diffusion barriers in Ag, Cu, Ni, Pd and Pt Sandip Sawarkar and Abhijit Chatterjee* Department of Chemical Engineering, Indian Institute of Technology Bombay, Mumbai 400076, India *Email: abhijit@che.iitb.ac.in

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