Data-Driven Design and Modeling Virtual | AIChE

Other Sites & Tools

Technical Groups

Data-Driven Design and Modeling Virtual

Chair(s)

Co-chair(s)

He, Y., Zhejiang University (Yuquan Campus)

Presentations

3:30 PM
(707a) Uncovering Magnetic Properties Composition Dependence of Substituted Ferrites for Magnetically Mediated Energy Delivery Applications: DFT and ML Study
3:45 PM
(707b) Combining Data-Driven and Physics-Based Simulations for Predicting Geometries and Energies of Biomass Intermediates on Rh Surfaces
4:00 PM
(707c) Computational Algorithms for Molecular Profiling of Activating Mutations in Kinases
4:15 PM
(707d) An Integrated Computational and Experimental Approach to Identifying Inhibitors for Sars-Cov-2 3CL Protease
4:30 PM
(707e) Multi-Fidelity Deep Neural Network for the Prediction of Mechanical Properties of Polymer Matrix Composites for AI-Assisted Materials Design
4:45 PM
(707g) Assessment of Commercially Available Packaging Films for Hot Sauce Using Contact Angle Analysis Combined with Principal Component Analysis
5:00 PM
(707j) Combined Experimental, Molecular Simulations and Machine Learning Approach to Optimize Aqueous Amine Solvents for CO2 Capture
5:15 PM
(707i) Maintaining Atomic Precision in Thiolate-Protected Alloy Nanoclusters
5:30 PM
(186d) Addressing Well-Posedness in a Data-Driven Manner: Model Problems and Physics-Informed Neural Networks
5:45 PM
(39f) Prediction of Atoms in Molecules with Matlab Graph Convolutional Network

Topics 

Computational Molecular Engineering

Checkout

Paper abstracts are public but to access Extended Abstracts, you must first purchase the conference proceedings.

Checkout

Do you already own this?

Pricing

Individuals

AIChE Pro Members $150.00
AIChE Emeritus Members $105.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

More Conference Links