Applying machine learning and quantum chemistry to predict the glass transition temperatures of polymers
Kevin P. Hickey, Jeremy Feinstein, Ganesh Sivaraman, Margaret MacDonell, Eugene Yan, Carlos Matherson, Scott Coia, Jason Xu, Kurt Picel
Topics & Concepts
Mean squared errorGlass transitionPolymerBiological systemComputer scienceGraphMaterials scienceWork (physics)ThermalRegressionMachine learningArtificial intelligenceStatistical physicsThermodynamicsPhysicsMathematicsStatisticsTheoretical computer scienceComposite materialBiologyMachine Learning in Materials ScienceAdvanced Polymer Synthesis and CharacterizationIonic liquids properties and applications