2021 Annual Meeting

Session: Applications of Data Science in Molecular Sciences I

Chair

Ferguson, A., University of Chicago

Co-Chairs

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

Presentations

08:00 AM

(51a) Deep Learning Quantum Reaction Rate Constants

08:25 AM

(51l) Building Blocks for Autonomous Computing Materials: Dimers, Trimers and Tetramers

08:37 AM

(51c) A Novel Machine Learning Model for the Accurate Design of Highly Selective Zeolitic-Imidazolate Frameworks

08:49 AM

(51d) Designing and Synthesizing Novel Dye Molecules Using Generative Modeling and Data-Driven Synthesis Planning

09:25 AM

(51g) Predicting Critical Micelle Concentrations for Surfactants Using Graph Convolutional Neural Networks

09:49 AM

(51i) Cript: Establishing and Harnessing a Polymer Database

10:13 AM

(51k) Predicting Adhesive Free Energies of Polymer-Surface Interactions with Machine Learning