Next few presentations:
- February 20th: Hands-on Introduction to Python, Part 3 (Numpy/Scipy)
- February 22nd: Introduction to the Use of Open Science Grid Resources
- February 27th: The use of R on the CHPC Resources
- March 1st: Virtualization Containers for Application Usability and Reproducibility
- Posted February 1st, 2018
Updated October 24th, 2017
Formation of COF-5 in an Implicit Solvent Model
These three movies describe the formation of covalent organic framework, No. 5 (usually known as COF-5) in an implicit solvent model. The description for each of them is as follows:
- An extreme case in which the stacking interaction among molecules are turned off thus no COF structure formed after hundreds of nanoseconds.
- At experimental condition, the formation occurs through an event called "spinodal decomposition" which results in the creation of defective COF motifs spontaneously in the solution.
- A single case where the stacking interaction is scaled smaller so that the crystallization of COF-5 happens through the growth of a single, defect-free crystal, which is much desired in experiment.