2021 Annual Meeting

Session: Polymer Simulations 1: Method and Theory

Chair

Douglas Tree, Brigham Young University

Co-Chair

Poornima Padmanabhan, Rochester Institute of Technology

Presentations

12:30 PM

(500a) At the Nexus of Simulation and Machine Learning for Sequence Design of Polymers
Michael Webb

01:00 PM

(500b) Combined Equation of State Modelling and Coarse-Grained Molecular Simulation of Polymers and Polymer Mixtures Via SAFT-? Mie
Maziar Fayaz Torshizi, Erich Muller

01:30 PM

(500d) An Implicit Approach for Simulating Strongly Directional Interactions
Dong Meng, Jing Zong

01:45 PM

(500e) Stochastic Kinetic Theory Applied to Nonequilibrium Polymer Simulations
Patrick Underhill

02:00 PM

(500f) Automated Multiscale Simulations for Materials Discovery
Phillip Rauscher, Ludwig Schneider, Phwey Gil, Ming Han, Joshua Mysona, Juan J. de Pablo, Heyi Liang, Marcus Schwarting

02:15 PM

(500g) A Multiscale Pipeline for Polymer Network Design and Mechanical Property Prediction with Reaction Detection
Nathan Rebello, Tzyy-Shyang Lin, Bradley Olsen

02:30 PM

(500h) Self-Avoiding Random Walks Generated By Iterated Function Systems
Glenn Lipscomb

02:45 PM

(500i) Thermal Barrier Coatings for Cellulose Substrates: A Designed Molecular Simulation Study of the Effects of Nanoparticles and Porosity on Thermal Diffusivity
Mohammad Mansourian-Tabaei, Alireza Asiaee, Brenda Hutton-Prager, Sasan Nouranian