dejac001

distillation

Modeling and Simulation of Multicomponent Distillation Columns

GEMC_histogram_analysis

An analysis package utilizing histograms to calculate accurate vapor and liquid coexistence densities, saturated vapor pressure, and compressibility factor from a Gibbs ensemble Monte Carlo trajectory for unary vapor--liquid equilibria near the critical point.

adsorption_isotherm_fitting

Fit temperature-dependent isotherms to equilibrium data.

achemso

Template repository for latex submission to ACS journals (https://pubs.acs.org/page/4authors/submission/tex.html)

callapy

Calculating Liquid-Phase Adsorption in Python

MCFlow

An analysis and workflow package for use with Monte Carlo molecular simulations in MCCCS-MN

bingo

Make a bingo board for playing the bingo game

chem_util

CoinIpopt

covid

cp2kmd

cp2kmdpy

DataStructures

dejac001.github.io

Robert DeJaco's personal website

desorption

diffusivity_estimation

Estimation of Diffusion Coefficients

fem-book

fenics

minimal-mistakes

:triangular_ruler: Jekyll theme for building a personal site, blog, project documentation, or portfolio.

my_matplotlib

Tips and tricks with matplotlib that I found useful during my PhD

parampool

Set and retrieve parameters for simulation models using diverse interfaces (command line, web GUI, file)

RASPA2

Classical molecular simulation code

react-fundamentals

To-Do-App

Tutorials

Tutorials messing around with different databases/cloud services

web4sciapps

http://hplgit.github.io/web4sciapps/

web4sciapps_django

http://hplgit.github.io/web4sciapps/doc/pub/._web4sa_solarized008.html