2023 AIChE Annual Meeting

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

Chair

Co-Chair

Sarupria, S., University of Minnesota, Twin Cities

Presentations

03:30 PM

(88a) Accelerating discovery with computational chemistry in challenging materials spaces
Kulik, H.

04:10 PM

(88b) Computational and Experimental Characterization of the Ligand Environment of a Ni-Oxo Catalyst Supported in Metal?Organic Framework NU-1000
Getman, R., Vicchio, S., Chen, Z., Chapman, K.

04:30 PM

(88c) T.B.A
Lindsey, R.

05:10 PM

(88d) Electronic Structure and Reactivity Predictions for Soft Material Length Scales
Jackson, N.

05:30 PM

(88e) Understanding the Effect of Water on CO2 Capture in Metal-Organic Frameworks
Snurr, R., Formalik, F., Joodaki, F., Alzayer, M., Kancharlapalli, S., Liu, J.