Temperature Extrapolation of Molecular Dynamics Simulations of Complex Chemistry to Microsecond Timescales using Kinetic Models: Applications to Hydrocarbon Pyrolysis
Abstract/Contents
- Abstract
- These are the Molecular Dynamics Simulations used to train and test the models in the related paper.
Description
| Type of resource | Dataset, cartographic |
|---|---|
| Date created | January 1, 2019 - June 1, 2022 |
Creators/Contributors
| Author | Dufour Decieux, Vincent |
|---|---|
| Author | Ransom, Brandi |
| Author | Sendek, Austin |
| Author | Freitas, Rodrigo |
| Author | Blanchet, Jose |
| Author | Reed, Evan |
Subjects
| Subject | Molecular dynamics > Computer simulation |
|---|---|
| Genre | Data |
| Genre | Geospatial data |
| Genre | Data sets |
| Genre | Dataset |
| Genre | Cartographic dataset |
Bibliographic information
Access conditions
- Use and reproduction
- User agrees that, where applicable, content will not be used to identify or to otherwise infringe the privacy or confidentiality rights of individuals. Content distributed via the Stanford Digital Repository may be subject to additional license and use restrictions applied by the depositor.
- License
- This work is licensed under a Creative Commons Attribution 4.0 International license (CC BY).
Preferred citation
- Preferred citation
- Dufour Decieux, V., Ransom, B., Sendek, A., Freitas, R., Blanchet, J., and Reed, E. (2022). Temperature Extrapolation of Molecular Dynamics Simulations of Complex Chemistry to Microsecond Timescales using Kinetic Models: Applications to Hydrocarbon Pyrolysis. Stanford Digital Repository. Available at https://purl.stanford.edu/sr637qt9337
Collection
Stanford Research Data
View other items in this collection in SearchWorksContact information
- Contact
- vincent.dufourdecieux@gmail.com
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