vsrsousa Goto Github PK
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vsrsousa's Projects
ase
Atomic Simulation Environment - mirror of https://gitlab.com/ase/ase
espins
Classical Monte Carlo Simulations
estudo_composto_gdni4al
# em desenvolvimento
hubbardml
Equivariant machine learning model for predicting self-consistent Hubbard parameters
ml_cr
Machine learning method to extract crystal field parameters from thermodynamic data.
paoflow
Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
rspt-tutorial
Material for RSPt video tutorial
tb2j
a python package for computing magnetic interaction parameters
xespresso
Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).
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