2019 AIChE Annual Meeting

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

Session celebrating the winner of the CoMSEF Impact Award and CoMSEF Young Investigator Award. [Invited talks only]

Chair

Jim Pfaendtner, University of Washington

Co-Chair

Sapna Sarupria, University of Minnesota, Twin Cities

Presentations

03:30 PM

(584a) Modeling the Preparation and Reactivity of Amorphous Catalysts
Baron Peters, Craig Vandervelden, Salman Khan, Susannah L. Scott

04:10 PM

(584b) Molecular Recognition of Ice By Proteins: From Ice Nucleation to Antifreeze
Valeria Molinero

04:30 PM

(584c) Too Small Is Never Too Small: Utilizing Advanced Path Sampling to Probe the Kinetics and Mechanism of Rare Events, from Atmospheric Ice Nucleation to Membrane Transport
Amir Haji-Akbari

05:10 PM

(584d) Combining Density Functional Theory Calculations with Machine Learning for Studying Complex Chemistries on Surfaces
Andreas Heyden

05:30 PM

(584e) Modeling Nucleation of Organic Molecules with the String Method
Erik Santiso