Automated Molecular and Materials Discovery: Integrating Machine Learning, Simulation, and Experiment II | AIChE

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Automated Molecular and Materials Discovery: Integrating Machine Learning, Simulation, and Experiment II

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Automated Molecular and Materials Discovery: Integrating Machine Learning, Simulation, and Experiment II

Presentations

3:30 PM
(420a) Predicting Phase-Specific Polymerization Thermodynamics for Circular Polymer Design Using Machine Learning
4:00 PM
(420c) An Autonomous Microreactor Platform for the Optimisation of Kinetic Parameters for Fast Liquid/Liquid Reactions
4:15 PM
(420d) Automatic Interpretation and Control of X-Ray Diffraction Experiments
4:30 PM
(420e) Active Learning for Data-Efficient Training of Machine Learning Models to Predict Adsorption in Metal-Organic Frameworks (MOFs).
4:45 PM
(420f) Molecular Weight Distribution Modulation and Mechanical Property Prediction of Linear Polymers: Combining Molecule Simulation and Machine Learning
5:00 PM
(420g) Active Learning Enhanced Screening of CO2 Capture Materials
5:15 PM
(420h) Advances Featurization and Characterization of MOF Pores for Adsorption Applications
5:30 PM
(420i) Learning Material Stability Scores from Computationally Generated Kinetic Data
5:45 PM
(420j) Mispr: A High-Throughput Multi-Scale Infrastructure for Automating Molecular Simulations

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