2023 AIChE Annual Meeting

Session: Computational Studies of Self-Assembly

Chair

Sumit Sharma, Ohio University

Co-Chair

Presentations

08:00 AM

(272a) Computational and Experimental Studies on the Self-Assembly of Novel Cancer Drug Peptide-Based Carrier Systems
Phanourios Tamamis, Anastasia Vlachou, Vijay Bhooshan Kumar, Ehud Gazit

08:15 AM

(272b) Polymeric Aqueous Two Phase System with an Immobilized Phase By Cross-Linking
Tim Zeiner, Michael Fischlschweiger

08:30 AM

(272c) Simulations Investigating the Structure and Dynamics of Nanomaterial-Amyloid Interactions
Gaelen Brown, Phanourios Tamamis, Khanh Van Pham

08:45 AM

(272d) Investigating the Role of Ceramide Conformation on the Multilayer Structure of Lipids in the Stratum Corneum Via Multiscale Simulation
Parashara Shamaprasad, Chloe Frame, Andreea Nadaban, Chris R. Iacovella, Annette Bunge, Joke Bouwstra, Clare McCabe

09:00 AM

(272e) Simulation of Corona Formation on Single-Walled Carbon Nanotubes: Ionic Vs. Anionic Surfactants
Kevin Hinkle, Aaron Winget

09:15 AM

(272f) Computational Studies of the Metastability of Colloidal Squares with Offset Dipoles at High Densities
Matthew Dorsey, Orlin D. Velev, Carol Hall

09:30 AM

(272g) Combining Coarse-Grained Modeling and Enhanced Sampling to Understand the Self-Assembly of Porous Crystals
Katherine Ardila, Diego Gomez Gualdron, Alexander J. Pak

09:45 AM

(272h) Anatomy of a Complex Crystallization Pathway
Charlotte Zhao, Domagoj Fijan, Sharon C. Glotzer

10:00 AM

(272i) Mechanisms of Spontaneous Solid–Solid Phase Transitions between Different Crystal Structures
Julia Dshemuchadse, Hillary Pan

10:15 AM

(272j) Surrogate Modeling of the Relative Entropy for Inverse Design
Chase Petix, Christopher Kieslich, Mohammadreza Fakhraei, Michael Howard