Pinned Repositories
HowTo_Palmetto_Cluster
pMuTT
Python Multiscale Thermochemistry Toolbox (pMuTT)
Ferrites-Saturation-Magneticzation-Machine-Learning-Model
This project implements an XGBoots machine-learning algorithm to uncover structure composition-saturation magnetization relationship for non-stoichiometric metal substituted ferrites. Essential to learn how to tune compositions of ferrites to achieve desired magnetic properties. Specifically, Mn, Co, Ni, Cu, and Zn inverse spinel structure, for which magnetic moments are computed using DFT calculations.
paulmeza's Repositories
paulmeza/HowTo_Palmetto_Cluster
paulmeza/pMuTT
Python Multiscale Thermochemistry Toolbox (pMuTT)