ck1615
PhD graduate @ImperialCollegeLondon. Computational Physics | Materials Science | Density-functional theory. On sabbatical.
@ImperialCollegeLondon France
Pinned Repositories
CASTEP_VCA_scripts
Scripts for interacting with CASTEP input and output files for simulations that model solid solutions using the virtual crystal approximation (VCA).
ck1615
Config files for my GitHub profile.
course-intro-to-containers
crystal-structure-manipulation
dft-scripts
A selection of post-processing scripts principally to extract mode amplitudes (ISODISTORT), relaxed structures and various other observables following Quantum ESPRESSO calculations.
machine_learning_with_python
Getting started with scikit-learn for machine learning
misctools
Miscellaneous functions used in pre- and post-processing of electronic structure calculations
q-e
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
qe-postproc
Post-processing tools to extract data and generate plots from quantum-espresso output files.
quantum-mobile
A Virtual Machine for computational materials science
ck1615's Repositories
ck1615/crystal-structure-manipulation
ck1615/dft-scripts
A selection of post-processing scripts principally to extract mode amplitudes (ISODISTORT), relaxed structures and various other observables following Quantum ESPRESSO calculations.
ck1615/ck1615
Config files for my GitHub profile.
ck1615/CASTEP_VCA_scripts
Scripts for interacting with CASTEP input and output files for simulations that model solid solutions using the virtual crystal approximation (VCA).
ck1615/course-intro-to-containers
ck1615/machine_learning_with_python
Getting started with scikit-learn for machine learning
ck1615/misctools
Miscellaneous functions used in pre- and post-processing of electronic structure calculations
ck1615/q-e
Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.
ck1615/qe-postproc
Post-processing tools to extract data and generate plots from quantum-espresso output files.
ck1615/quantum-mobile
A Virtual Machine for computational materials science
ck1615/sub-scripts
Submission scripts to HPC clusters setup