jkshenton

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Kane Shenton's starred repositories

VaspBandUnfolding

A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.

Language:Python20300

PWDFT.jl

Plane wave density functional theory using Julia programming language

Language:Julia11500

pyiron

pyiron - an integrated development environment (IDE) for computational materials science.

Language:Jupyter NotebookBSD-3-Clause36200

dft-book-espresso

New version of dft-book for Quantum Espresso

Language:Jupyter Notebook4200

98.css

A design system for building faithful recreations of old UIs

Language:CSSMIT905100

pymuon-suite

Collection of scripts and utilities for muon spectroscopy

Language:PythonGPL-3.0800

qe-gipaw

QE-GIPAW for Quantum-Espresso (official repository)

Language:FortranGPL-2.03000

CarrierCapture.jl

Julia package to compute trap-assisted electron and hole capture in semiconductors

Language:Jupyter NotebookMIT5100

pawpyseed

Parallel C/Python package for numerical analysis of PAW DFT wavefunctions

Language:CBSD-3-Clause3100

DiSPy

Utility for applying the distortion symmetry method.

Language:PythonMIT2800

scholar.py

A parser for Google Scholar, written in Python

Language:Python211100

sketchmap

Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular

Language:C++GPL-3.04500

juliacon2017

My workshop

Language:Jupyter Notebook4600

PolaronMobility.jl

Feynman's variational path-integral model for the Fröhlich polaron. Calculates temperature dependent polaron mobilities, and other polaron observables.

Language:Jupyter NotebookMIT2600

custodian

A simple, robust and flexible just-in-time job management framework in Python.

Language:PythonMIT13600

website-archive

Archive of the Coding Train website (first version)

Language:JavaScriptMIT572000

phononwebsite

Visualise lattice vibrations

Language:JavaScriptBSD-3-Clause8500

stk

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

Language:PythonMIT25100

molecular-blender

blend molecules!

Language:PythonGPL-3.03700

MacroDensity

Python package to analyse electron density & electrostatic potential grids

Language:PythonMIT8300

qiskit

Qiskit is an open-source SDK for working with quantum computers at the level of extended quantum circuits, operators, and primitives.

Language:PythonApache-2.0515700

intro_to_QMC

Introductory QMC teaching material for Python

Language:Jupyter Notebook1300

seekpath

A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures

Language:PythonNOASSERTION11200

PyTUN

Tunneling Correction to Chemical Kinetics

Language:PythonGPL-3.0600

emc

Effective Mass Calculator for Semiconductors

Language:PythonNOASSERTION10200

Oimo.js

Lightweight 3d physics engine for javascript

Language:JavaScriptMIT305900

philogl

A WebGL Framework for Data Visualization, Creative Coding and Game Development

Language:JavaScriptMIT8600

pixiedust

Python Helper library for Jupyter Notebooks

Language:Jupyter NotebookApache-2.0103800

dive-into-machine-learning

Free ways to dive into machine learning with Python and Jupyter Notebook. Notebooks, courses, and other links. (First posted in 2016.)

CC-BY-4.01126600

jupyter-themes

Custom Jupyter Notebook Themes

Language:CSSMIT976600