HIGHLIGHTS
- who: Alexander S. Novikov from the Institute of Chemistry, Saint Petersburg State University, Universitetskaya Nab, Saint Petersburg, Russia have published the research: Computational Insights into Industrial Chemistry, in the Journal: (JOURNAL)
SUMMARY
One of the most important challenges for modern industrial chemistry is creation of smart technologies allowing to rational design of promising processes and materials to improve sustainability. Computer modeling (including quantum chemistry (ab initio and DFT), molecular dynamics simulation, machine_learning in chemistry, computational biochemistry, cheminformatics, etc.) could provide a solid theoretical background for understanding the environmental effects caused by chemical industry activities . . .
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