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  1. kmos

    kMC on steroids: A vigorous attempt to make lattice kinetic Monte Carlo modelling easier

    FORTRAN 16 12

  2. dbmi

    This python module implements an approximate theory for calculating adsorbate-adsorbate interactions based on relative shifts of d-band center. Currently only works with files from QuantumEspresso …

    Python 2

  3. catmap

    Forked from SUNCAT-Center/catmap

    Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

    Python

138 contributions in 2014

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Contribution activity First pull request First issue First repository Joined GitHub

December 2014

Created a pull request in SUNCAT-Center/catmap that received 3 comments

Created initial stub for CLI

I wrote a command line tool stub for CatMAP. It only knows one command now which is catmap import <mkm-file> which allows to work interactively wi…

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