2022 Annual Meeting

Session: Polymer Simulations: Structure and Fundamental Insights

Chair

Poornima Padmanabhan, Rochester Institute of Technology

Co-Chairs

Thomas Gartner, Princeton University
Wenlin Zhang, Dartmouth College
Janani Sampath, University of Florida
Dylan Anstine, University of Florida

Presentations

12:30 PM

(131a) Thermodynamic Insights into the Reentrant Phase Behavior of a Copolymer Model
Yiming Wang, Frank H. Stillinger, Pablo Debenedetti

12:45 PM

(131b) Coarse-Grained Models for Block Bottlebrush Polymer Self-Assembly
Charles Sing, Tianyuan Pan, Sarit Dutta

01:15 PM

(131c) Coarse-Grained Molecular Dynamic Simulation of PS-PMMA Block Copolymer Directed Self-Assembly on a Flexible Brush Substrate
Yufeng Qiu, Yong Joo

01:45 PM

(131e) Computational Design of Feather-like 2-D Polymer Architectures
Esmat Mohammadi, Soumil Joshi, Sanket Deshmukh

02:00 PM

(131f) Diffusive Charge Transport in High-Valency Redox-Active Polymer Solutions
Liliana Bello Fernandez, Charles Sing

02:15 PM

(131g) A Tunable, Particle-Based Model for the Diverse Conformations Exhibited By Chiral Block Polymers
Poornima Padmanabhan, Natalie Buchanan, Joules Provenzano

02:30 PM

(131h) Designed Molecular Dynamics Investigation of the Thermal Conductivity and Mass Loss of Polyetherimide/Graphene Nanocomposites Exposed to Space Environments
Mohammad Mansourian-Tabaei, Shan Jiang, Sasan Nouranian

02:45 PM

(131i) Effect of Electric Field on PEO/Water Mixture: Molecular Dynamics Simulation Approach
Junhe Chen, Seung Soon Jang, Paul Kohl, Matthew Warner