2021 Annual Meeting

Session: Computational Approaches for Studies at the Nanoscale

Chair

Sasan Nouranian, University of Mississippi

Presentations

01:10 PM

(299c) Molecular Dynamics Simulation of the Sintering of Titanium/Aluminum Core/Shell Nanoparticles
Huadian Zhang, Jungmin Jeon, Farzin Rahmani, Sasan Nouranian, Shan Jiang

01:30 PM

(299d) Elucidating the Molecular Mechanism of Diffusive and Electrophoretic Ion Transport Under Single Digit Nanoconfinement
Rahul Prasanna Misra, Zhongwu Li, Aleksandr Noy, Daniel Blankschtein

01:50 PM

(299e) High-Throughput Computational Analysis of the Role of Finite Temperature in the Optical Response of 2D Materials
Anubhab Haldar, Tianlun Allan Huang, Quentin Clark, Sahar Sharifzadeh

02:10 PM

(299f) Ab Initio Molecular Dynamics Simulations of the Hydration of Zwitterions
Md Symon Jahan Sajib, Pranab Sarker, Tao Wei