sevyharris Goto Github PK
Name: Sevy Harris
Type: User
Bio: PhD student in Chemical Engineering at Northeastern University
Sevy Harris's Projects
adlib
Using Quantum Espresso and ase to compute the binding energy of adsorbates on metals
autoscience_workflow
Snakemake workflow for Autoscience n-heptane model
autotst
AutoTST: A framework to perform automated transition state theory calculations
basics
comocheng learning the basics
burgess_comments
co_oxidation
CO oxidation on Pt(111) model
compare-mechanism
compare RMG-generated Cantera mechanisms
job_manager
mech-viz
RMG mechanism visualizer
mit_kinetics_project
molssi_best_practices
Code from MolSSI Best Practices Workshop
montecoffee
qe_workflow
snakemake workflow for computing binding energies of adsorbates using Quantum Espresso
reaction_calculator
Autoscience Workflow 2.0
rmg-database
The database of chemical parameters used with Reaction Mechanism Generator
rmg-py
Python version of the amazing Reaction Mechanism Generator (RMG).
rmg-tests
Continous Integration Testing Platform for RMG-Py
rmg2kmc
automatically set up KMC simulations for given input species
rmg_tools
A collection of scripts and Jupyter Notebooks to assist with RMG development
tetris_cube
Solver for the 4x4 Tetris Puzzle Cube
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