2023 AIChE Annual Meeting

Session: Plenary Session: Computational Molecular Science and Engineering Forum (Invited Talks)

Chair

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