The quantemol team is working on developing an algorithm which automates chemistry reduction including your process conditions specifics and prioritised species. We already have an in-house version and offering consultancy services on assembling chemistry sets and optimising it from hundreds to dozens of reactions. This will significantly reduce your calculation times for 2D and 3D models without losing the essence of the processes you are trying to model.
See our recent publication Reduced chemistries with the Quantemol database (QDB) available online from Plasma Science and Technology, Volume 21, Number 6 (2019).
Contact us on email@example.com to learn more.
The algorithm will be available as a cloud version on QDB soon. Sign up for our newsletter to stay connected (the email frequency is less than 1 in 2 months).
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