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New Developments in Computational Catalysis at A ... (No replies)

msshaama
6 years ago
msshaama 6 years ago
We'd like to encourage abstract contributions for talks at our upcoming session, "New Developments in Computational Catalysis", at the 2018 AIChE annual meeting in Pittsburgh, PA, which runs from October 28 to November 2, 2018. The abstract deadline is fast approaching: Wednesday, April 18th. This session focuses on advances in electronic structure methodology or modeling strategies suitable to address outstanding problems in catalysis. Examples include, but are not limited to, improvements in accuracy and efficiency of electronic structure methodology, application and extension of machine learning to quantum chemistry, and approaches that address challenges in modeling interfacial phenomena or complex reaction networks.
 
We hope to receive your contribution.
 
To submit an abstract: 
2. Scroll down below “Begin a Submission to the following” and click on the blue "Catalysis and Reaction Engineering Division" to expose and click on a button that says "Begin a Submission"
3. Select "20031 New Developments in Computational Catalysis” and then click “Save and Continue"
 
If you have any questions regarding the abstract submission system or you or one of your students would like additional information about the conference and session, please do not hesitate to contact us ([email protected]).
 
Thanks,
Shaama Mallikarjun Sharada, Eric Walker, Bryan Goldsmith, Masoudeh Ahmadi



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Ab initio (from electronic structure) calculation of complex processes in materials