Resources

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

Publications:

  1. Johnson, M. S.; Dong, X.; Grinberg Dana, A.; Chung, Y.; Farina, D.; Gillis, R. J.; Liu, M.; Yee, N. W.; Blondal, K.; Mazeau, E.; Grambow, C. A.; Payne, A. M.; Spiekermann, K. A.; Pang, H.-W.; Goldsmith, C. F.; West, R. H.; Green, W. H. RMG Database for Chemical Property Prediction. J. Chem. Inf. Model. 2022, 62, 4906–4915. Link
  2. Liu, M.; Dana, A. G.; Johnson, M. S.; Goldman, M. J.; Jocher, A.; Payne, A. M.; Grambow, C. A.; Han, K.; Yee, N. W.; Mazeau, E. J.; Blondal, K.; West, R. H.; Goldsmith, C. F.; Green, W. H. Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. J. Chem. Inf. Model. 2021, 61, 2686-2696. Link
  3. 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
  4. 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
  5. 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

How to cite:

Please include the following citations if any tools or data from RMG-website/RMG-database were used for an academic study:

  1. Johnson, M. S.; Dong, X.; Grinberg Dana, A.; Chung, Y.; Farina, D.; Gillis, R. J.; Liu, M.; Yee, N. W.; Blondal, K.; Mazeau, E.; Grambow, C. A.; Payne, A. M.; Spiekermann, K. A.; Pang, H.-W.; Goldsmith, C. F.; West, R. H.; Green, W. H. RMG Database for Chemical Property Prediction. J. Chem. Inf. Model. 2022, 62, 4906–4915. Link
  2. Liu, M.; Dana, A. G.; Johnson, M. S.; Goldman, M. J.; Jocher, A.; Payne, A. M.; Grambow, C. A.; Han, K.; Yee, N. W.; Mazeau, E. J.; Blondal, K.; West, R. H.; Goldsmith, C. F.; Green, W. H. Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. J. Chem. Inf. Model. 2021, 61, 2686-2696. Link

RMG Workshop Recordings:

A series of talks given by RMG developers intended to teach users how to use RMG.

  1. 2019 January
  2. 2021 January and relevant material
  3. 2023 May

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)