kyledmiller
Graduate researcher in materials science | ML + Theory --> Materials Design
@MTD-group Evanston, IL
Pinned Repositories
coding-club
Mini-lessons created for the Coding Club outreach program
CrabNet
Predict materials properties using only the composition information!
how_global_is_gii
Data and code for the publication "Testing the Limits of the Global Instability Index"
IDEAS_FSS-Vis
Materials for the IDEAS FSS-Visualization course
kdm-matminer
data mining for Materials Science
kdm_mala
Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
kdm_pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
kdm_PyXtal
A code to generate atomic structure with symmetry
distortion_analysis
Tools for analyzing distortions in crystals
sim_util_scripts
Handy scripts: CIF <=> POSCAR conversion, find primitive cell, find SG across precision
kyledmiller's Repositories
kyledmiller/how_global_is_gii
Data and code for the publication "Testing the Limits of the Global Instability Index"
kyledmiller/coding-club
Mini-lessons created for the Coding Club outreach program
kyledmiller/CrabNet
Predict materials properties using only the composition information!
kyledmiller/IDEAS_FSS-Vis
Materials for the IDEAS FSS-Visualization course
kyledmiller/kdm-matminer
data mining for Materials Science
kyledmiller/kdm_mala
Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.
kyledmiller/kdm_pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
kyledmiller/kdm_PyXtal
A code to generate atomic structure with symmetry
kyledmiller/kyledmiller.github.io
kyledmiller/lennard-jones-particles-c
Molecular Dynamics simulation of a microcanonical ensemble of 10000 particles subject to Lennard-Jones interactions
kyledmiller/mit_model_code
XGBoost models to classify materials with metal-insulator transition behavior
kyledmiller/modnet
MODNet: a framework for machine learning materials properties
kyledmiller/qiskit_hackathon_2021
kyledmiller/qmpy_rester
A toolkit for querying data in OQMD.