2020 Virtual AIChE Annual Meeting

Session: Applications of Data Science in Molecular Sciences II

Chair

Ferguson, A., University of Chicago

Co-Chairs

Hachmann, J., University at Buffalo, SUNY
White, A., University of Rochester

Presentations

08:00 AM

(356a) Shifting Paradigms: Using Molecular Dynamics with Machine Learning for the Calculation of Thermodynamic Properties of Fluids

08:15 AM

(356b) Combining Molecular Dynamics and Machine Learning to Predict Interfacial Properties

08:30 AM

(356c) Data Science Based Electrolyte Design for Organic Redox Flow Batteries

08:45 AM

(356d) Development of an Artificial Neural Network Model to Predict Electrical Conductivity of Pure Ionic Liquids and Ionic Liquid-Ionic Liquid Mixtures

09:15 AM

(356f) Incorporating Long-Range Interactions in Machine Learning Models of Water and Aqueous Electrolyte Solutions

09:30 AM

(356g) Fully Convolutional Neural Network Models for Materials Science Applications

09:45 AM

(356h) Deep Learning for Characterizing and Modeling the Dynamics of Complex Colloidal Self-Assembly Systems

10:00 AM

(356i) AI Based Analysis for Graphene Synthesis - from Size Measurement to SEM Image Generation

10:15 AM

(356j) Infrared Spectra Prediction with Machine Learning

10:30 AM

(356k) Optimization of Thermal Conductivity at Interfaces Using Learning Algorithms