jkshenton

Pinned Repositories

aiida_notebooks
iPython notebooks documenting my baby steps with aiida.
Language:Jupyter Notebook0 1 00
atomistic_playground
Learning and making things with ASE
Language:Jupyter Notebook1 1 00
BFO_dftu_SI
DFT+U study of BiFeO3 using VASP and pymatgen
Language:Jupyter Notebook0 0 00
BFO_effective_mass_SI
Supplementary material for our study on factors influencing effective mass in BiFeO3.
Language:Jupyter Notebook0 0 00
CASMcode
First-principles statistical mechanical software for the study of multi-component crystalline solids
Language:C++0 1 00
castep-docs
Language:TeX0 0 01
castep-workshop
Workshop materials for the CASTEP Workshop
Language:TeX00
castep_outputs
Parser for CASTEP output files
Language:Python0 0 00
jasp
python enhancements of ase.calculators.vasp
Language:Python1 1 00

jkshenton's Repositories

jkshenton/jasp
python enhancements of ase.calculators.vasp
Language:Python1 1 00
jkshenton/aiida_notebooks
iPython notebooks documenting my baby steps with aiida.
Language:Jupyter Notebook0 1 00
jkshenton/emc
Effective Mass Calculator for Semiconductors
Language:Python1 0
jkshenton/PHAS3226
ipython notebooks and other materials for third year Quantum Mechanics course at UCL
Language:Jupyter Notebook1 0
jkshenton/quantum_problems
Some jupyter notebooks with quantum information/computation problems sheets and my attempts at their solutions.
Language:Jupyter Notebook1 0