Resources
In addition to the RMG documentation, here are some additional resources for learning about RMG theory and usage.
Publications:
- 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
- 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
- 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
- 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
- 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:
- 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
- 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.
RMG Study Group Presentations:
A series of presentations intended to teach users and developers the theory and usage of RMG.
- Git and Sphinx and webRMG (2013-09-20)
- Building Models I (2013-09-27)
- CanTherm (2013-09-27)
- RMG Basics (2013-09-27)
- Parallelization (2013-10-04)
- Group Additivity (2013-11-01)
- Building Models II (2013-11-15)
- Solvent Effects in RMG (2013-12-06)
- Java Speed Up (2014-01-22)
- Python Speed Up (2014-01-22)
- Software Carpentry (2014-03-21)
- Planning Official RMG Release (2014-04-11)
- Building Models III (2014-05-09)
- Multiplicity (2014-05-20)
- Pruning (2014-07-10)
- Unit Testing (2014-07-25)
- New Adjacency List (2014-10-22)
- Cantherm Refresher (2015-01-12)
- Reaction Filter and User Accessibility (2015-01-15)
- Release Update (2015-01-26)
- Intro to RMG-Py (2015-02-02)
- Basics of Git (2015-02-23)
- Silicon Hydrides (2015-03-16)
- Model Reduction (2015-04-28)
- Liquid Reactor (2016-09-29)
- Thermo Estimation (2016-09-29)
- Silicon Chemistry and Solvation Kinetics (2016-12-01)
- Uncertainty Analysis (2016-12-15)