2021 Annual Meeting

Session: Data-Driven Design and Modeling II

Chair

Co-Chairs

He, Y., Zhejiang University (Yuquan Campus)

Presentations

03:30 PM

(186a) Automated Solid State Electrolyte Conductivity Predictions Via Probability Density Analysis
Yao, Y., Kumar Rao, K., Nikolaou, M., Grabow, L., Wolverton, C. M.

03:45 PM

(186c) Bayesian Model Selection: Applying Parsimony to Build Better Molecular Models
Shirts, M., Madin, O., Messerly, R. A., Boothroyd, S.

04:00 PM

(186e) Evaluating Polymer Stabilizer Performance Using Molecular Descriptors and Machine Learning on a Small Dataset
Liu, A., Venkatesh, R., McBride, M., Reichmanis, E., Meredith, J. C., Grover, M.

04:15 PM

(186f) Machine-Learning-Guided Discovery of New Electrochemical Reactions
Zahrt, A.

04:30 PM

(186g) A Deep Learning Potential to Study Large-Scale Anhydrous Proton Transport Systems
Achar, S., Zhang, L., Bernasconi, L., Johnson, K.

04:45 PM

(186h) Leveraging Machine Learning Techniques to Identify Ionic Liquids Possessing High Ionic Conductivity
Dhakal, P.

05:00 PM

(186j) High-Throughput Electrochemical Screening of Deep Eutectic Solvents for Use in Redox Flow Batteries
Politi, M., Rodriguez, J. Jr., Pozzo, L.

05:15 PM

(707f) Deep Learning for Morphology Detection of Self-Assembled Oligomers in Atomistic Simulations: Pointnet
Shen, Z., Sun, Y., Luo, K., Mahanthappa, M., Lodge, T. P., Siepmann, J.