rkurchin Goto Github PK

200320_fun_tips_tricks

A collection of useful tools and other computational goodness, originally shared by me at group meeting on 20 March 2020. Feel free to suggest additions! I've credited people I learned things from in the cases where I learned them recently enough to remember who taught me...

27100_demos

Computational demos developed for CMU course 27-100: Engineering the Materials of the Future

aimd_molly

Mocking up doing AIMD in Molly.jl using DFTK.jl for forces...

arjunausers

Arjuna Public Documentation for Users

bpe-demo-myst

Testing out Notebooks Now! templates...

bpe-demo-quarto

Testing out Notebooks Now! templates...

bpe_lecture

Content for a lecture on Bayesian parameter estimation.

deepdish

Flexible HDF5 saving/loading and other data science tools from the University of Chicago

dennis_beer

Compile BeerAdvocate scores for currently-available brews at Belmont Beer Cellar.

fermi.jl

Fermi quantum chemistry program

fluxbench.jl

ftp_hills

Some quick calculations about bike power and hills, using model outlined at https://ridefar.info/wp-content/uploads/pdf/method.pdf

general

The official registry of general Julia packages

kurchin_cv

LaTeX/Python code for maintaining my CV; integrates with website code (see rkurchin.github.io repo)

myst-practice

nodariety.jl

Hyphenate your way to glory! Or centrality.

nodarietyvis

prometheuscv

The non-template for academic CVs in latex

pv-bayes

Bayesian inference code for PV measurements. Now superseded by bayesim: https://github.com/PV-Lab/bayesim

pylada-defects

A computational framework to automate point defect calculations

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.

rachel-conversion

practice from SDSCSI 2017

rkurchin.github.io

Code to maintain my personal website.

sclera.jl

Visualizing tool for atoms and molecules

shapes.jl

spectrapepper

A Python package for advanced processing and combinatorial analysis of spectroscopy data.

submission-instructions

Submission Guide for Notebooks Now

test-quarto-2

debugging

test-run-myst

Running through the NN! submission guidelines from scratch

tufte-latex

A Tufte-inspired LaTeX class for producing handouts, papers, and books