#poly_prop_lit_drop
Literature on understanding and predicting polymer materials properties with a focus on machine learning
##General Methods Papers
#####Predicting Crystallization Tendency of Polymers Using Multifidelity Information Fusion and Machine Learning Shruti Venkatram, Rohit Batra, Lihua Chen, Chiho Kim, Madeline Shelton, and Rampi Ramprasad The Journal of Physical Chemistry B 2020 124 (28), 6046-6054
#####Polymer Genome: A Data-Powered Polymer Informatics Platform for Property Predictions Chiho Kim, Anand Chandrasekaran, Tran Doan Huan, Deya Das, and Rampi Ramprasad The Journal of Physical Chemistry C 2018 122 (31), 17575-17585 DOI: 10.1021/acs.jpcc.8b02913
Uses computational (bandgap, dielectric constant, refractive index, and atomization energy) or experimental (glass transition temperature, solubility parameter, and density) data combied with a fingerprinting scheme that captures atomistic to morphological structural features to numerically represent the polymers. Machine learning models were then trained by mapping the fingerprints (or features) to properties.
##Variational Autoencoders
#####Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders Rohit Batra, Hanjun Dai, Tran Doan Huan, Lihua Chen, Chiho Kim, Will R. Gutekunst, Le Song, and Rampi Ramprasad Chemistry of Materials 2020 32 (24), 10489-10500 DOI: 10.1021/acs.chemmater.0c03332
##Papers broken down by target property type
####Crystallinity
#####Predicting Crystallization Tendency of Polymers Using Multifidelity Information Fusion and Machine Learning Shruti Venkatram, Rohit Batra, Lihua Chen, Chiho Kim, Madeline Shelton, and Rampi Ramprasad The Journal of Physical Chemistry B 2020 124 (28), 6046-6054
#####Polymer Structure Prediction from First Principles Tran Doan Huan and Rampi Ramprasad The Journal of Physical Chemistry Letters 2020 11 (15), 5823-5829 DOI: 10.1021/acs.jpclett.0c01553
####Refractive Index ####Refractive index prediction models for polymers using machine learning#### Jordan P. Lightstone, Lihua Chen, Chiho Kim, Rohit Batra, and Rampi Ramprasada) Journal of Applied Physics 127, 215105 (2020); https://doi.org/10.1063/5.0008026