Skip to content
View chr218's full-sized avatar
2 followers · 4 following
Block or Report

Block or report chr218

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Popular repositories

  1. thermo_toolkit thermo_toolkit Public

    This toolkit is designed to calculate thermodynamic corrections to VASP structural minimization simulations and is particular to zeolites.

    Python 1 1

  2. GCTMMC_ads_isotherm_toolkit GCTMMC_ads_isotherm_toolkit Public

    This toolkit is designed to analyze the output of "grand canonical transition matrix Monte Carlo" (GCTMMC) simulations for the adsorption of molecules within zeolites. The GCTMMC software is "The F…

    Python 1

  3. Unimolecular_site_influence Unimolecular_site_influence Public

    A simple microkinetic model taken from "Filot, I. A. W. (2018). Introduction to microkinetic modeling. Technische Universiteit Eindhoven. " to examine the influence of catalytic site concentrations…

    Python 1

  4. NEB_Excel_Macro NEB_Excel_Macro Public

    This macro will automatically calculate the activation barrier, change the transition state energy to red, and create plots with curve fitting for each path. The user is responsible in generating a…

    Shell

  5. monte-hall monte-hall Public

    Monte-Hall problem exercise for new python users.

    Python

  6. materials_bandgap_workflow materials_bandgap_workflow Public

    Python