681 Data-Driven Screening of Chemical and Materials Space

Thursday, November 17, 2016: 12:30 PM - 3:00 PM
Yosemite A (Hilton San Francisco Union Square)

Computational Molecular Science and Engineering Forum

Johannes Hachmann
Email: hachmann@buffalo.edu

Andrew L. Ferguson
Email: alf@illinois.edu

- indicates paper has an Extended Abstract file available on the online proceeding.

1:42 PM
(681g) Sorting out a Process-Structure-Property Relationship in Polymer Organic Electronics
Nils Persson, Michael McBride, Christopher A. Shartrand, Jye-Chyi Lu, Elsa Reichmanis and Martha A. Grover

2:42 PM
(681l) Development of an Inter-Atomic Potential for Molecular Dynamics Simulations of Stanene Using a Genetic Algorithm Based Framework
Mathew Cherukara, Badri Narayanan, Alper Kinaci, Kiran Sasikumar, Maria K. Y. Chan, Ross Harder and Subramanian K.R.S. Sankaranarayanan