2020 Virtual AIChE Annual Meeting

Session: Computational Approaches for Studies at the Nanoscale

Co-Chairs

Sumit Sharma, Ohio University
Kevin Hinkle, University of Dayton

Presentations

08:00 AM

(406a) DNA-Wrapped Boron Nitride Nanotubes in Alcohol/Water Mixture Systems: Experimental and Simulation Study
Venkateswara Rao Kode, Kevin Hinkle, Geyou Ao

08:15 AM

(406b) Development of Supervised Learning Models for Protein Adsorption to Engineered Nanoparticles
Nicholas Ouassil, Jackson Travis Del Bonis-O'Donnell, Rebecca Pinals, Markita Landry

08:30 AM

(406c) A Database of Porous Rigid Amorphous Materials
Raghuram Thyagarajan, David Sholl

08:45 AM

(406d) Optimal Design of Novel Precursor Material Using Camd for Enhanced Growth Kinetics of ALD
Rajib Mukherjee, Mina Shahmohammadi, Christos G. Takoudis, Urmila Diwekar

09:00 AM

(406e) Nature-Inspired Self-Cleaning Surfaces: Mechanisms, Modelling, and Manufacturing
Cunming Yu, Srdjan Sasic, Kai Liu, Robin H.A. Ras, Samir Salameh, J. Ruud van Ommen

09:15 AM

(406f) Accelerated Prediction of Atomically Precise Cluster Structures Using on-the-Fly Machine Learning
Yunzhe Wang, Tim Mueller, Shanping Liu, Sam Norwood, Peter Lile