Published September 11, 2019
| Version v1
Presentation
Open
Parameterization Perspective IV: Data for Parameterization and Validation - Physical Properties
Description
Michael Shirts gives an overview of physical properties data used for parameterization and data that will be used for validation of the OpenFF force fields. An overview of the available databases and resources was also provided. This presentation was given as a part of the Open Force Field Consortium Workshop (OFFCW) in San Diego on Aug 30, 2019.
The uploaded material contains presentation slides and video.
Files
07-MShirts-PhysicalProperties.mp4
Files
(12.8 MB)
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Additional details
Related works
- Has part
- https://youtu.be/IzK9ehmghKo (URL)