Accelerated Discovery of High-Refractive-Index Polyimides via First-Principles Molecular Modeling, Virtual High-Throughput Screening, and Data Mining

Benchmarking DFT Approaches for the Calculation of Polarizability Inputs for Refractive Index Predictions in Organic Polymers

The Effect of Tacticity and Side Chain Structure on the Coil Dimensions of Polyolefins

Combining First-Principles and Data Modeling for the Accurate Prediction of the Refractive Index of Organic Polymers