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Proceedings
2023 AIChE Annual Meeting
Computational Molecular Science and Engineering Forum
Plenary Session: Computational Molecular Science and Engineering Forum (Invited Talks)
2023 AIChE Annual Meeting
Session: Plenary Session: Computational Molecular Science and Engineering Forum (Invited Talks)
Chair
Jeetain Mittal
Co-Chair
Sapna Sarupria
, University of Minnesota, Twin Cities
Presentations
03:30 PM
(88a) Accelerating discovery with computational chemistry in challenging materials spaces
Heather Kulik
04:10 PM
(88b) Computational and Experimental Characterization of the Ligand Environment of a Ni-Oxo Catalyst Supported in Metal?Organic Framework NU-1000
Rachel Getman, Stephen Vicchio, Zhihengyu Chen, Karena Chapman
04:30 PM
(88c) T.B.A
Rebecca Lindsey
05:10 PM
(88d) Electronic Structure and Reactivity Predictions for Soft Material Length Scales
Nicholas Jackson
05:30 PM
(88e) Understanding the Effect of Water on CO2 Capture in Metal-Organic Frameworks
Randall Snurr, Filip Formalik, Faramarz Joodaki, Maytham Alzayer, Srinivasu Kancharlapalli, Jiayang Liu
