A deep neural network model for packing density predictions and its application in the study of 1.5 million organic molecules
Author:
Affiliation:
1. Department of Chemical and Biological Engineering
2. University at Buffalo
3. The State University of New York
4. Buffalo
5. USA
Abstract
Computational pipeline for the accelerated discovery of organic materials with high refractive index via high-throughput screening and machine learning.
Funder
National Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2019/SC/C9SC02677K
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