Resources

In addition to the RMG documentation, here are some additional resources for learning about RMG theory and usage.

Publications:

  1. Gao, C. W.; Allen, J. W.; Green, W. H.; West, R. H. Reaction Mechanism Generator: Automatic Construction of Chemical Kinetic Mechanisms. Comput. Phys. Commun. 2016, 203, 212–225. Link
  2. Magoon, G. R.; Green, W. H. Design and Implementation of a next-Generation Software Interface for on-the-Fly Quantum and Force Field Calculations in Automated Reaction Mechanism Generation. Comput. Chem. Eng. 2013, 52, 35–45. Link
  3. Allen, J. W.; Goldsmith, C. F.; Green, W. H. Automatic Estimation of Pressure-Dependent Rate Coefficients. Phys. Chem. Chem. Phys. 2012, 14 (3), 1131–1155. Link

RMG Study Group Presentations:

A series of presentations intended to teach users and developers the theory and usage of RMG.

  1. Git and Sphinx and webRMG (2013-09-20)
  2. Building Models I (2013-09-27)
  3. CanTherm (2013-09-27)
  4. RMG Basics (2013-09-27)
  5. Parallelization (2013-10-04)
  6. Group Additivity (2013-11-01)
  7. Building Models II (2013-11-15)
  8. Solvent Effects in RMG (2013-12-06)
  9. Java Speed Up (2014-01-22)
  10. Python Speed Up (2014-01-22)
  11. Software Carpentry (2014-03-21)
  12. Planning Official RMG Release (2014-04-11)
  13. Building Models III (2014-05-09)
  14. Multiplicity (2014-05-20)
  15. Pruning (2014-07-10)
  16. Unit Testing (2014-07-25)
  17. New Adjacency List (2014-10-22)
  18. Cantherm Refresher (2015-01-12)
  19. Reaction Filter and User Accessibility (2015-01-15)
  20. Release Update (2015-01-26)
  21. Intro to RMG-Py (2015-02-02)
  22. Basics of Git (2015-02-23)
  23. Silicon Hydrides (2015-03-16)
  24. Model Reduction (2015-04-28)
  25. Liquid Reactor (2016-09-29)
  26. Thermo Estimation (2016-09-29)
  27. Silicon Chemistry and Solvation Kinetics (2016-12-01)
  28. Uncertainty Analysis (2016-12-15)