leiapple

University of GroningenGroningen, the Netherlands

Pinned Repositories

ML-IAPs_iron
Potential file and training scripts of multiple machine learning interatomic potentials.
Language:Jupyter Notebook52
Fe-GAP22-AL
Active learning script to enable fracture prediction of GAP
Language:Roff33
Interatomic-potential-Test
Basic properties prediction workflow: E-V curve, elastic constants, vacancy formation energy, surface energy and stacking fault energy.
Language:Python32
Potential_benchmark_iron
Test interatomic potential by Benchmarking with several physical properties using LAMMPS
Language:Python34
Fe-GAP22
Fe-GAP22 DFT database, potential file and training commands.
Language:Shell11
pyLabDD
Python Laboratory for Dislocation Dynamics
Language:Jupyter Notebook11
comments
store the comments from the blog
00
leiapple.github.io
Personal website
Language:HTML00
matscipy
Materials science with Python at the atomic-scale
Language:Python00
matscipy
Materials science with Python at the atomic-scale
Language:Python18055

leiapple/leiapple.github.io
Personal website
Language:HTML
leiapple/comments
store the comments from the blog
leiapple/Potential_benchmark_iron
Test interatomic potential by Benchmarking with several physical properties using LAMMPS
Language:Python34
leiapple/ML-IAPs_iron
Potential file and training scripts of multiple machine learning interatomic potentials.
Language:Jupyter Notebook52
leiapple/matscipy
Materials science with Python at the atomic-scale
leiapple/Interatomic-potential-Test
Basic properties prediction workflow: E-V curve, elastic constants, vacancy formation energy, surface energy and stacking fault energy.
Language:Python32
leiapple/Fe-GAP22
Fe-GAP22 DFT database, potential file and training commands.
Language:Shell11
leiapple/Fe-GAP22-AL
Active learning script to enable fracture prediction of GAP
Language:Roff33
leiapple/pyLabDD
Python Laboratory for Dislocation Dynamics
11