356 Applications of Data Science in Molecular Sciences II

Tuesday, November 17, 2020: 8:00 AM - 9:00 AM
Applications of Data Science to Molecules and Materials (T3) (PreRecorded+)

Description:
TBD

Sponsor:
Applications of Data Science to Molecules and Materials
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21), Information Management and Intelligent Systems (10E)
Chair:
Andrew Ferguson Email: andrewferguson@uchicago.edu
Co-chairs:
Johannes Hachmann Email: hachmann@buffalo.edu
Andrew White Email: andrew.white@rochester.edu


(356a) Shifting Paradigms: Using Molecular Dynamics with Machine Learning for the Calculation of Thermodynamic Properties of Fluids
Kezheng Zhu and Erich A. Müller


(356b) Combining Molecular Dynamics and Machine Learning to Predict Interfacial Properties
Atharva Kelkar, Bradley C. Dallin and Reid C. Van Lehn


(356c) Data Science Based Electrolyte Design for Organic Redox Flow Batteries
Vijayakumar Murugesan, Emily Saldanha, Peiyuan Gao, Aaron Hollas and Wei Wang


(356d) Development of an Artificial Neural Network Model to Predict Electrical Conductivity of Pure Ionic Liquids and Ionic Liquid-Ionic Liquid Mixtures
Pratik Dhakal and Jindal K. Shah


(356f) Incorporating Long-Range Interactions in Machine Learning Models of Water and Aqueous Electrolyte Solutions
Shuwen Yue, Maria Muniz, Marcos Andrade, Linfeng Zhang, Roberto Car and Athanassios Z. Panagiotopoulos


(356g) Fully Convolutional Neural Network Models for Materials Science Applications
Jonathan D. Moore, Ellen Du, Dave Magley, Ryan L. Marson, Sukrit Mukhopadhyay, Bart Rijksen, Christopher Roth, Joey Storer, Abraham C. Stern and Michelle Gill


(356h) Deep Learning for Characterizing and Modeling the Dynamics of Complex Colloidal Self-Assembly Systems
Jared O'Leary, Runfang Mao, Evan Pretti, Jeetain Mittal and Ali Mesbah


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


(356j) Infrared Spectra Prediction with Machine Learning
Charles J. McGill, Yanfei Guan, Michael Forsuelo and William H. Green


(356k) Optimization of Thermal Conductivity at Interfaces Using Learning Algorithms
Sabiha Rustam, Malachi Schram, Zexi Lu, Anne Chaka and Jim Pfaendtner
See more of this Group/Topical: Topical Conference: Applications of Data Science to Molecules and Materials
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