polyG2G: A Novel Machine Learning Algorithm Applied to the Generative Design of Polymer Dielectrics

Interpretable Machine Learning-Based Predictions of Methane Uptake Isotherms in Metal–Organic Frameworks

(2021) Rishi Gurnani et al.   CHEMISTRY OF MATERIALS

Flexible Temperature‐Invariant Polymer Dielectrics with Large Bandgap

(2020) Chao Wu et al.   ADVANCED MATERIALS

Designing exceptional gas-separation polymer membranes using machine learning

(2020) J. Wesley Barnett et al.   Science Advances

Computable Bulk and Interfacial Electronic Structure Features as Proxies for Dielectric Breakdown of Polymers

(2020) Deepak Kamal et al.   ACS Applied Materials & Interfaces

Refractive index prediction models for polymers using machine learning

(2020) Jordan P. Lightstone et al.   JOURNAL OF APPLIED PHYSICS

PI1M: A Benchmark Database for Polymer Informatics

(2020) Ruimin Ma et al.   Journal of Chemical Information and Modeling

Polymers for Extreme Conditions Designed Using Syntax-Directed Variational Autoencoders

(2020) Rohit Batra et al.   CHEMISTRY OF MATERIALS

Polymer design using genetic algorithm and machine learning

(2020) Chiho Kim et al.   COMPUTATIONAL MATERIALS SCIENCE

Polymer informatics: Current status and critical next steps

(2020) Lihua Chen et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

Scoping the polymer genome: A roadmap for rational polymer dielectrics design and beyond

(2017) Arun Mannodi-Kanakkithodi et al.   Materials Today

Rational Co-Design of Polymer Dielectrics for Energy Storage

(2016) Arun Mannodi-Kanakkithodi et al.   ADVANCED MATERIALS

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach

(2016) Rafael Gómez-Bombarelli et al.   NATURE MATERIALS

Advanced polymeric dielectrics for high energy density applications

(2016) Tran Doan Huan et al.   PROGRESS IN MATERIALS SCIENCE

A polymer dataset for accelerated property prediction and design

(2016) Tran Doan Huan et al.   Scientific Data

Accelerated materials property predictions and design using motif-based fingerprints

(2015) Tran Doan Huan et al.   PHYSICAL REVIEW B

Rational design of all organic polymer dielectrics

(2014) Vinit Sharma et al.   Nature Communications

Extended-Connectivity Fingerprints

(2010) David Rogers et al.   Journal of Chemical Information and Modeling

On the Art of Compiling and Using 'Drug-Like' Chemical Fragment Spaces

(2008) Jörg Degen et al.   ChemMedChem

Comparison of thermomechanical properties of statistical, gradient and block copolymers of isobornyl acrylate and n-butyl acrylate with various acrylate homopolymers

(2008) Wojciech Jakubowski et al.   POLYMER