Pinned Repositories
achemso
Template repository for latex submission to ACS journals (https://pubs.acs.org/page/4authors/submission/tex.html)
adsorption_isotherm_fitting
Fit temperature-dependent isotherms to equilibrium data.
bingo
Make a bingo board for playing the bingo game
callapy
Calculating Liquid-Phase Adsorption in Python
chem_util
CoinIpopt
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.
MCFlow
An analysis and workflow package for use with Monte Carlo molecular simulations in MCCCS-MN
desorption
Deep Neural Network Learning of Complex Binary Sorption Equilibria from Molecular Simulation Data
dejac001's Repositories
dejac001/distillation
Modeling and Simulation of Multicomponent Distillation Columns
dejac001/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.
dejac001/adsorption_isotherm_fitting
Fit temperature-dependent isotherms to equilibrium data.
dejac001/achemso
Template repository for latex submission to ACS journals (https://pubs.acs.org/page/4authors/submission/tex.html)
dejac001/callapy
Calculating Liquid-Phase Adsorption in Python
dejac001/MCFlow
An analysis and workflow package for use with Monte Carlo molecular simulations in MCCCS-MN
dejac001/bingo
Make a bingo board for playing the bingo game
dejac001/chem_util
dejac001/CoinIpopt
dejac001/covid
dejac001/cp2kmd
dejac001/cp2kmdpy
dejac001/DataStructures
dejac001/dejac001.github.io
Robert DeJaco's personal website
dejac001/desorption
dejac001/diffusivity_estimation
Estimation of Diffusion Coefficients
dejac001/fem-book
dejac001/fenics
dejac001/minimal-mistakes
:triangular_ruler: Jekyll theme for building a personal site, blog, project documentation, or portfolio.
dejac001/my_matplotlib
Tips and tricks with matplotlib that I found useful during my PhD
dejac001/parampool
Set and retrieve parameters for simulation models using diverse interfaces (command line, web GUI, file)
dejac001/RASPA2
Classical molecular simulation code
dejac001/react-fundamentals
dejac001/To-Do-App
dejac001/Tutorials
Tutorials messing around with different databases/cloud services
dejac001/web4sciapps
http://hplgit.github.io/web4sciapps/
dejac001/web4sciapps_django
http://hplgit.github.io/web4sciapps/doc/pub/._web4sa_solarized008.html