The lecture is part of a series on modeling within nanoscience, and the hosting site, nanohub.org, has many other interesting things.
Density Functional Theory Surrogate Enables Fast and Broad Computational
Evaluation of Homogeneous Transition Metal Catalytic Energy Landscapes
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Kevin P. Quirion, Wang-Yeuk Kong, Britton Stanley, Jyothish Joy, and Daniel
H. Ess (2026)
Highlighted by Jan Jensen
It has been about 10 months since Met...
3 days ago
2 comments:
hi,
congratulations on your blog.
i'm a chemist researcher too.
If you could, make an example about intrinsic reaction coordinate in gamess.
thank you,
Lucas
Thank you!
Good idea. I'll see what I can do.
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