Active-learning and materials design: the example of high glass transition temperature polymers

Accelerated Discovery of Large Electrostrains in BaTiO3 -Based Piezoelectrics Using Active Learning

(2018) Ruihao Yuan et al.   ADVANCED MATERIALS

Polymer Genome: A Data-Powered Polymer Informatics Platform for Property Predictions

(2018) Chiho Kim et al.   Journal of Physical Chemistry C

Effect of Crystallinity on Li Adsorption in Polyethylene Oxide

(2018) Deya Das et al.   CHEMISTRY OF MATERIALS

Active learning for accelerated design of layered materials

(2018) Lindsay Bassman et al.   npj Computational Materials

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

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

Polymer Informatics: Opportunities and Challenges

(2017) Debra J. Audus et al.   ACS Macro Letters

Machine learning in materials informatics: recent applications and prospects

(2017) Rampi Ramprasad et al.   npj Computational Materials

Rational Co-Design of Polymer Dielectrics for Energy Storage

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

Critical assessment of regression-based machine learning methods for polymer dielectrics

(2016) Arun Mannodi-Kanakkithodi et al.   COMPUTATIONAL MATERIALS SCIENCE

Multi-objective optimization techniques to design the Pareto front of organic dielectric polymers

(2016) Arun Mannodi-Kanakkithodi et al.   COMPUTATIONAL MATERIALS SCIENCE

Taking the Human Out of the Loop: A Review of Bayesian Optimization

(2016) Bobak Shahriari et al.   PROCEEDINGS OF THE IEEE

Advanced polymeric dielectrics for high energy density applications

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

Optimisation of GaN LEDs and the reduction of efficiency droop using active machine learning

(2016) Bertrand Rouet-Leduc et al.   Scientific Reports

A polymer dataset for accelerated property prediction and design

(2016) Tran Doan Huan et al.   Scientific Data

Machine Learning Strategy for Accelerated Design of Polymer Dielectrics

(2016) Arun Mannodi-Kanakkithodi et al.   Scientific Reports

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

Electrochemical Windows of Room-Temperature Ionic Liquids from Molecular Dynamics and Density Functional Theory Calculations

(2011) Shyue Ping Ong et al.   CHEMISTRY OF MATERIALS

Classification of Organic Molecules by Molecular Quantum Numbers

(2009) Kong T. Nguyen et al.   ChemMedChem

Topological Polar Surface Area: A Useful Descriptor in 2D-QSAR

(2008) S. Prasanna et al.   CURRENT MEDICINAL CHEMISTRY